 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_300_STD_B3LYPDBJ-def2SVPDr.in
 Output=23_tartaric_acid_300_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/23_tartaric_acid_300_STD/Gau-13720.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/23_tartaric_acid_300_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13721.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=23_tartaric_acid_300_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_300_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.464416000000     -0.510638000000     -0.301760000000
  O                                                -1.226068000000     -1.649988000000     -0.632869000000
  O                                                -2.372478000000      0.237815000000     -0.908297000000
  C                                                -0.752797000000      0.166934000000      0.877420000000
  C                                                 0.752808000000     -0.166909000000      0.877405000000
  C                                                 1.464382000000      0.510618000000     -0.301784000000
  O                                                 1.226101000000      1.650002000000     -0.632837000000
  O                                                -1.004751000000      1.555168000000      0.901145000000
  O                                                 1.004808000000     -1.555150000000      0.901196000000
  O                                                 2.372410000000     -0.237840000000     -0.908359000000
  H                                                -1.183171000000     -0.268641000000      1.783396000000
  H                                                 1.183171000000      0.268677000000      1.783379000000
  H                                                 2.347339000000     -1.116286000000     -0.478105000000
  H                                                -2.347390000000      1.116250000000     -0.478019000000
  H                                                -0.303553000000      1.976048000000      0.360817000000
  H                                                 0.303578000000     -1.976155000000      0.361020000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.210191   0.000000
     3  O    1.323875   2.225740   0.000000
     4  C    1.534917   2.409598   2.411882   0.000000
     5  C    2.534692   2.897654   3.622147   1.542173   0.000000
     6  C    3.101745   3.466462   3.894069   2.534664   1.534883
     7  O    3.466534   4.111334   3.875554   2.897655   2.409565
     8  O    2.434302   3.560225   2.623009   1.411112   2.460717
     9  O    2.938567   2.709088   4.230254   2.460755   1.411128
    10  O    3.894049   3.875448   4.768670   3.622122   2.411865
    11  H    2.117909   2.783576   2.985994   1.093499   2.139903
    12  H    3.459025   3.914583   4.459676   2.139880   1.093497
    13  H    3.863597   3.616356   4.929029   3.618694   2.298098
    14  H    1.859429   2.988882   0.978477   2.298074   3.618687
    15  H    2.823158   3.871251   2.985390   1.934320   2.444387
    16  H    2.390151   1.853110   3.697851   2.444469   1.934382
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.210194   0.000000
     8  O    2.938493   2.709021   0.000000
     9  O    2.434290   3.560229   3.703027   0.000000
    10  O    1.323872   2.225732   4.230177   2.623000   0.000000
    11  H    3.459011   3.914584   2.033834   2.687124   4.459669
    12  H    2.117905   2.783523   2.687080   2.033815   2.986018
    13  H    1.859440   2.988890   4.502833   1.974199   0.978476
    14  H    3.863606   3.616448   1.974189   4.502871   4.929023
    15  H    2.390004   1.852969   0.980190   3.804363   3.697687
    16  H    2.823263   3.871410   3.804432   0.980183   2.985486
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.426579   0.000000
    13  H    4.277545   2.896156   0.000000
    14  H    2.896088   4.277518   5.198528   0.000000
    15  H    2.799301   2.673789   4.158551   2.370689   0.000000
    16  H    2.673795   2.799296   2.370752   4.158676   3.998564
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.464416   -0.510638   -0.301760
      2          8           0       -1.226068   -1.649988   -0.632869
      3          8           0       -2.372478    0.237815   -0.908297
      4          6           0       -0.752797    0.166934    0.877420
      5          6           0        0.752808   -0.166909    0.877405
      6          6           0        1.464382    0.510618   -0.301784
      7          8           0        1.226101    1.650002   -0.632837
      8          8           0       -1.004751    1.555168    0.901145
      9          8           0        1.004808   -1.555150    0.901196
     10          8           0        2.372410   -0.237840   -0.908359
     11          1           0       -1.183171   -0.268641    1.783396
     12          1           0        1.183171    0.268677    1.783379
     13          1           0        2.347339   -1.116286   -0.478105
     14          1           0       -2.347390    1.116250   -0.478019
     15          1           0       -0.303553    1.976048    0.360817
     16          1           0        0.303578   -1.976155    0.361020
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8283046           1.1678491           0.9656679
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   266 symmetry adapted basis functions of A   symmetry.
   266 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       591.3890664853 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0261368629 Hartrees.
 Nuclear repulsion after empirical dispersion term =      591.3629296224 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               8.8 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   266 RedAO= T EigKep=  2.89D-05  NBF=   266
 NBsUse=   266 1.00D-06 EigRej= -1.00D+00 NBFU=   266
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   285   285   285   285   285 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               3.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_300_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:09 2021, MaxMem=  5637144576 cpu:              16.2 elap:               2.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636975936 LenY=  5636893699
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.024804176750    
 DIIS: error= 3.45D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.024804176750     IErMin= 1 ErrMin= 3.45D-03
 ErrMax= 3.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-02 BMatP= 1.48D-02
 IDIUse=3 WtCom= 9.65D-01 WtEn= 3.45D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.257 Goal=   None    Shift=    0.000
 GapD=    0.257 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.52D-03 MaxDP=1.43D-01              OVMax= 1.53D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.50D-03    CP:  1.02D+00
 E= -607.036966780106     Delta-E=       -0.012162603356 Rises=F Damp=F
 DIIS: error= 1.12D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.036966780106     IErMin= 2 ErrMin= 1.12D-03
 ErrMax= 1.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-03 BMatP= 1.48D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.12D-02
 Coeff-Com:  0.887D-01 0.911D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.877D-01 0.912D+00
 Gap=     0.258 Goal=   None    Shift=    0.000
 RMSDP=3.52D-04 MaxDP=1.11D-02 DE=-1.22D-02 OVMax= 7.23D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.39D-04    CP:  1.02D+00  1.02D+00
 E= -607.036732529789     Delta-E=        0.000234250317 Rises=F Damp=F
 DIIS: error= 1.41D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -607.036966780106     IErMin= 2 ErrMin= 1.12D-03
 ErrMax= 1.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-03 BMatP= 1.02D-03
 IDIUse=3 WtCom= 2.11D-01 WtEn= 7.89D-01
 Coeff-Com: -0.154D-01 0.548D+00 0.468D+00
 Coeff-En:   0.000D+00 0.560D+00 0.440D+00
 Coeff:     -0.325D-02 0.557D+00 0.446D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=1.74D-04 MaxDP=8.09D-03 DE= 2.34D-04 OVMax= 4.84D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.02D-05    CP:  1.02D+00  1.03D+00  5.98D-01
 E= -607.037710318039     Delta-E=       -0.000977788250 Rises=F Damp=F
 DIIS: error= 2.81D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.037710318039     IErMin= 4 ErrMin= 2.81D-04
 ErrMax= 2.81D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-05 BMatP= 1.02D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.81D-03
 Coeff-Com: -0.121D-01 0.280D+00 0.254D+00 0.479D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.121D-01 0.279D+00 0.253D+00 0.480D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=4.57D-05 MaxDP=1.87D-03 DE=-9.78D-04 OVMax= 1.04D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.46D-05    CP:  1.02D+00  1.03D+00  6.20D-01  7.05D-01
 E= -607.037739624519     Delta-E=       -0.000029306480 Rises=F Damp=F
 DIIS: error= 3.32D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.037739624519     IErMin= 5 ErrMin= 3.32D-05
 ErrMax= 3.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-06 BMatP= 3.35D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.437D-02 0.896D-01 0.834D-01 0.204D+00 0.628D+00
 Coeff:     -0.437D-02 0.896D-01 0.834D-01 0.204D+00 0.628D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=7.27D-06 MaxDP=2.10D-04 DE=-2.93D-05 OVMax= 4.11D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.93D-06    CP:  1.02D+00  1.03D+00  6.23D-01  7.11D-01  9.48D-01
 E= -607.037739939128     Delta-E=       -0.000000314609 Rises=F Damp=F
 DIIS: error= 2.82D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.037739939128     IErMin= 6 ErrMin= 2.82D-05
 ErrMax= 2.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-07 BMatP= 1.02D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.491D-03 0.333D-02 0.476D-02 0.419D-01 0.464D+00 0.487D+00
 Coeff:     -0.491D-03 0.333D-02 0.476D-02 0.419D-01 0.464D+00 0.487D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=3.54D-06 MaxDP=1.10D-04 DE=-3.15D-07 OVMax= 2.17D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.48D-06    CP:  1.02D+00  1.03D+00  6.25D-01  7.20D-01  9.50D-01
                    CP:  6.71D-01
 E= -607.037740433867     Delta-E=       -0.000000494739 Rises=F Damp=F
 DIIS: error= 3.86D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.037740433867     IErMin= 7 ErrMin= 3.86D-06
 ErrMax= 3.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-08 BMatP= 6.66D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-04-0.360D-02-0.270D-02 0.554D-02 0.168D+00 0.220D+00
 Coeff-Com:  0.613D+00
 Coeff:      0.228D-04-0.360D-02-0.270D-02 0.554D-02 0.168D+00 0.220D+00
 Coeff:      0.613D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=1.24D-06 MaxDP=4.02D-05 DE=-4.95D-07 OVMax= 2.68D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.40D-07    CP:  1.02D+00  1.03D+00  6.25D-01  7.21D-01  9.64D-01
                    CP:  6.40D-01  6.50D-01
 E= -607.037740445281     Delta-E=       -0.000000011414 Rises=F Damp=F
 DIIS: error= 1.24D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.037740445281     IErMin= 8 ErrMin= 1.24D-06
 ErrMax= 1.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-09 BMatP= 1.41D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.509D-04-0.206D-02-0.173D-02-0.632D-03 0.515D-01 0.752D-01
 Coeff-Com:  0.310D+00 0.568D+00
 Coeff:      0.509D-04-0.206D-02-0.173D-02-0.632D-03 0.515D-01 0.752D-01
 Coeff:      0.310D+00 0.568D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=2.49D-07 MaxDP=5.44D-06 DE=-1.14D-08 OVMax= 6.41D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.20D-07    CP:  1.02D+00  1.03D+00  6.25D-01  7.22D-01  9.66D-01
                    CP:  6.40D-01  6.58D-01  8.50D-01
 E= -607.037740446359     Delta-E=       -0.000000001078 Rises=F Damp=F
 DIIS: error= 4.49D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.037740446359     IErMin= 9 ErrMin= 4.49D-07
 ErrMax= 4.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-10 BMatP= 1.67D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.243D-04-0.682D-03-0.610D-03-0.107D-02 0.912D-02 0.154D-01
 Coeff-Com:  0.968D-01 0.317D+00 0.564D+00
 Coeff:      0.243D-04-0.682D-03-0.610D-03-0.107D-02 0.912D-02 0.154D-01
 Coeff:      0.968D-01 0.317D+00 0.564D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=9.65D-08 MaxDP=2.10D-06 DE=-1.08D-09 OVMax= 1.98D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.62D-08    CP:  1.02D+00  1.03D+00  6.25D-01  7.21D-01  9.65D-01
                    CP:  6.43D-01  6.77D-01  8.70D-01  7.36D-01
 E= -607.037740446518     Delta-E=       -0.000000000159 Rises=F Damp=F
 DIIS: error= 7.49D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.037740446518     IErMin=10 ErrMin= 7.49D-08
 ErrMax= 7.49D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.89D-12 BMatP= 2.36D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.348D-05-0.722D-04-0.708D-04-0.344D-03-0.385D-03-0.202D-03
 Coeff-Com:  0.124D-01 0.639D-01 0.172D+00 0.753D+00
 Coeff:      0.348D-05-0.722D-04-0.708D-04-0.344D-03-0.385D-03-0.202D-03
 Coeff:      0.124D-01 0.639D-01 0.172D+00 0.753D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=1.96D-08 MaxDP=6.44D-07 DE=-1.59D-10 OVMax= 3.49D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  1.02D+00  1.03D+00  6.25D-01  7.21D-01  9.65D-01
                    CP:  6.43D-01  6.77D-01  8.77D-01  7.35D-01  8.17D-01
 E= -607.037740446528     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 3.37D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.037740446528     IErMin=11 ErrMin= 3.37D-08
 ErrMax= 3.37D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-13 BMatP= 3.89D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.215D-06 0.702D-05 0.343D-05-0.109D-03-0.794D-03-0.120D-02
 Coeff-Com: -0.313D-04 0.935D-02 0.467D-01 0.361D+00 0.585D+00
 Coeff:      0.215D-06 0.702D-05 0.343D-05-0.109D-03-0.794D-03-0.120D-02
 Coeff:     -0.313D-04 0.935D-02 0.467D-01 0.361D+00 0.585D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=6.09D-09 MaxDP=1.81D-07 DE=-1.05D-11 OVMax= 1.36D-07

 SCF Done:  E(RB3LYP) =  -607.037740447     A.U. after   11 cycles
            NFock= 11  Conv=0.61D-08     -V/T= 2.0088
 KE= 6.017545108025D+02 PE=-2.606046798615D+03 EE= 8.058916177439D+02
 Leave Link  502 at Fri Jul 16 13:11:33 2021, MaxMem=  5637144576 cpu:             664.3 elap:              83.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   266
 NBasis=   266 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    266 NOA=    39 NOB=    39 NVA=   227 NVB=   227

 **** Warning!!: The largest alpha MO coefficient is  0.35805667D+02

 Leave Link  801 at Fri Jul 16 13:11:34 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4853 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.48D-13 8.33D-09 XBig12= 1.00D+00 3.55D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.48D-13 8.33D-09 XBig12= 4.26D-01 9.57D-02.
     11 vectors produced by pass  2 Test12= 1.48D-13 8.33D-09 XBig12= 5.74D-02 5.19D-02.
     11 vectors produced by pass  3 Test12= 1.48D-13 8.33D-09 XBig12= 9.39D-03 1.90D-02.
     11 vectors produced by pass  4 Test12= 1.48D-13 8.33D-09 XBig12= 7.98D-04 5.44D-03.
     11 vectors produced by pass  5 Test12= 1.48D-13 8.33D-09 XBig12= 1.97D-05 1.09D-03.
     11 vectors produced by pass  6 Test12= 1.48D-13 8.33D-09 XBig12= 3.25D-07 8.13D-05.
     11 vectors produced by pass  7 Test12= 1.48D-13 8.33D-09 XBig12= 8.09D-09 1.84D-05.
     11 vectors produced by pass  8 Test12= 1.48D-13 8.33D-09 XBig12= 8.98D-11 1.83D-06.
      8 vectors produced by pass  9 Test12= 1.48D-13 8.33D-09 XBig12= 9.96D-13 1.27D-07.
      1 vectors produced by pass 10 Test12= 1.48D-13 8.33D-09 XBig12= 6.27D-15 1.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.741302D+02
      2 -0.605157D+01  0.781047D+02
      3 -0.251854D-03  0.197832D-03  0.628965D+02
 Isotropic polarizability for W=    0.088559       71.71 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.433711D-02  0.196829D-02 -0.415626D+02
      2   0.253864D-02 -0.716623D-03 -0.121174D+01
      3   0.179847D-02 -0.125166D-02  0.427743D+02
      4   0.208053D-03  0.135348D-02 -0.135327D+02
      5  -0.192172D+02 -0.361291D+01  0.454232D-03
      6  -0.799680D+00  0.159996D+01 -0.181967D-02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.874036D+01  0.490564D+01  0.113190D-03
      2  -0.267376D+02 -0.981397D+01 -0.673072D-03
      3   0.262160D-03  0.212251D-04  0.142831D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.991984D+01  0.281170D+01  0.568010D-03
      2  -0.223454D+02 -0.127331D+02 -0.134423D-02
      3  -0.176023D-02  0.118516D-02  0.281323D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.171287D+01  0.301628D+01 -0.242865D-03
      2   0.301628D+01  0.190107D+01  0.143078D-03
      3  -0.242865D-03  0.143078D-03  0.166500D+00
 OR G Eigenvalues:    -3.4220     0.1665     3.6102  Iso=    -0.1182
 Eigenvectors:
   (1)   0.870032  -0.492996   0.000079
   (2)  -0.000069   0.000038   1.000000
   (3)   0.492996   0.870032   0.000001
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1182 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -39.95 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   35511 ScalPx= 1.65D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.30D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.46D-14 2.78D-09 XBig12= 1.00D+00 3.73D-01.
     30 vectors produced by pass  1 Test12= 2.46D-14 2.78D-09 XBig12= 1.44D-01 7.96D-02.
     30 vectors produced by pass  2 Test12= 2.46D-14 2.78D-09 XBig12= 1.25D-03 7.87D-03.
     30 vectors produced by pass  3 Test12= 2.46D-14 2.78D-09 XBig12= 2.01D-05 9.83D-04.
     30 vectors produced by pass  4 Test12= 2.46D-14 2.78D-09 XBig12= 2.56D-07 9.97D-05.
     30 vectors produced by pass  5 Test12= 2.46D-14 2.78D-09 XBig12= 1.30D-09 4.71D-06.
     30 vectors produced by pass  6 Test12= 2.46D-14 2.78D-09 XBig12= 2.92D-12 2.36D-07.
      3 vectors produced by pass  7 Test12= 2.46D-14 2.78D-09 XBig12= 4.57D-15 9.26D-09.
      1 vectors produced by pass  8 Test12= 2.46D-14 2.78D-09 XBig12= 5.69D-16 3.81D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   214 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 4.01D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   35511 ScalPx= 4.01D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   35511 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.76D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.741302D+02 -0.605157D+01 -0.251854D-03
      2  -0.605157D+01  0.781047D+02  0.197832D-03
      3  -0.251854D-03  0.197832D-03  0.628965D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.874036D+01  0.490564D+01  0.113190D-03
      2  -0.267376D+02 -0.981397D+01 -0.673072D-03
      3   0.262160D-03  0.212251D-04  0.142831D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.433711D-02  0.196829D-02 -0.415626D+02
      2   0.253864D-02 -0.716623D-03 -0.121174D+01
      3   0.179847D-02 -0.125166D-02  0.427743D+02
      4   0.208053D-03  0.135348D-02 -0.135327D+02
      5  -0.192172D+02 -0.361291D+01  0.454232D-03
      6  -0.799680D+00  0.159996D+01 -0.181967D-02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.899103D-01 -0.137670D+01  0.255568D+00  0.138547D+01 -0.984080D+00
      2  -0.137670D+01 -0.848589D+00 -0.100359D+01 -0.984080D+00  0.536978D+01
      3   0.255568D+00 -0.100359D+01 -0.918763D+00  0.113178D+00  0.120973D+01
                 6             7             8             9            10 
      1   0.113178D+00  0.171957D+01 -0.169760D+01 -0.281065D-01  0.159257D+01
      2   0.120973D+01 -0.169760D+01  0.147839D+01 -0.752532D+00 -0.240905D+01
      3   0.642721D+00 -0.281065D-01 -0.752532D+00 -0.366195D-01 -0.548424D+00
                11            12            13            14            15 
      1  -0.240905D+01 -0.548424D+00 -0.455661D+01  0.236954D+00 -0.122812D+01
      2  -0.224832D+00  0.678949D-02  0.236954D+00 -0.112970D+02 -0.204371D+01
      3   0.678949D-02  0.809767D+00 -0.122812D+01 -0.204371D+01 -0.314467D+01
                16            17            18            19            20 
      1  -0.125776D+01  0.294353D+00 -0.838443D-01 -0.579049D+01  0.154868D+01
      2   0.294353D+00 -0.274182D+01 -0.285476D+01  0.154868D+01 -0.838357D+00
      3  -0.838443D-01 -0.285476D+01 -0.251067D+01 -0.189084D+01  0.476503D+00
                21            22            23            24            25 
      1  -0.189084D+01 -0.734271D+00 -0.102461D+01 -0.451483D+00 -0.321881D+01
      2   0.476503D+00 -0.102461D+01 -0.182749D+01 -0.212588D+01  0.843150D+00
      3  -0.111404D+01 -0.451483D+00 -0.212588D+01 -0.616491D+00 -0.301440D+01
                26            27            28            29            30 
      1   0.843150D+00 -0.301440D+01 -0.457592D+01  0.164183D+01 -0.136567D+00
      2  -0.235866D+01  0.942833D+00  0.164183D+01  0.120997D+01  0.602327D-01
      3   0.942833D+00 -0.351509D+01 -0.136567D+00  0.602327D-01  0.237428D+01
                31            32            33            34            35 
      1   0.256776D+01  0.215779D+01 -0.752441D+00 -0.592854D+00  0.143048D+00
      2   0.215779D+01 -0.274198D+01 -0.847038D+00  0.143048D+00 -0.502027D+00
      3  -0.752441D+00 -0.847038D+00  0.347435D+01  0.223944D+01  0.204588D+01
                36            37            38            39            40 
      1   0.223944D+01  0.457652D+01 -0.164143D+01 -0.137411D+00 -0.256699D+01
      2   0.204588D+01 -0.164143D+01 -0.121001D+01  0.600251D-01 -0.215767D+01
      3  -0.273780D+01 -0.137411D+00  0.600251D-01 -0.237389D+01 -0.752454D+00
                41            42            43            44            45 
      1  -0.215767D+01 -0.752454D+00 -0.593451D+00  0.142701D+00 -0.223874D+01
      2   0.274256D+01 -0.847528D+00  0.142701D+00 -0.502564D+00 -0.204541D+01
      3  -0.847528D+00 -0.347387D+01 -0.223874D+01 -0.204541D+01 -0.273835D+01
                46            47            48            49            50 
      1  -0.907690D-01  0.137646D+01  0.255931D+00 -0.138631D+01  0.983489D+00
      2   0.137646D+01  0.847854D+00 -0.100329D+01  0.983489D+00 -0.537049D+01
      3   0.255931D+00 -0.100329D+01  0.918089D+00  0.113515D+00  0.120999D+01
                51            52            53            54            55 
      1   0.113515D+00  0.171976D+01 -0.169719D+01  0.275409D-01 -0.159209D+01
      2   0.120999D+01 -0.169719D+01  0.147811D+01  0.752325D+00  0.240914D+01
      3  -0.642955D+00  0.275409D-01  0.752325D+00 -0.364768D-01 -0.548356D+00
                56            57            58            59            60 
      1   0.240914D+01 -0.548356D+00  0.455707D+01 -0.236478D+00 -0.122831D+01
      2   0.225388D+00  0.667587D-02 -0.236478D+00  0.112974D+02 -0.204369D+01
      3   0.667587D-02 -0.809513D+00 -0.122831D+01 -0.204369D+01  0.314484D+01
                61            62            63            64            65 
      1  -0.125749D+01  0.294300D+00  0.839982D-01 -0.427037D+01  0.151627D+01
      2   0.294300D+00 -0.274136D+01  0.285464D+01  0.151627D+01 -0.205925D+01
      3   0.839982D-01  0.285464D+01 -0.251032D+01  0.174665D+01 -0.225383D+00
                66            67            68            69            70 
      1   0.174665D+01 -0.703598D+00 -0.233372D+01  0.103302D+01  0.296260D+01
      2  -0.225383D+00 -0.233372D+01  0.603531D+01  0.195646D+01 -0.620017D-01
      3  -0.193224D+01  0.103302D+01  0.195646D+01 -0.939954D-01 -0.192383D+01
                71            72            73            74            75 
      1  -0.620017D-01 -0.192383D+01  0.427046D+01 -0.151612D+01  0.174664D+01
      2   0.207933D+01  0.159754D+01 -0.151612D+01  0.206014D+01 -0.225547D+00
      3   0.159754D+01  0.256424D+01  0.174664D+01 -0.225547D+00  0.193221D+01
                76            77            78            79            80 
      1   0.703727D+00  0.233411D+01  0.103290D+01  0.296176D+01 -0.619183D-01
      2   0.233411D+01 -0.603463D+01  0.195660D+01 -0.619183D-01  0.207948D+01
      3   0.103290D+01  0.195660D+01  0.939526D-01  0.192336D+01 -0.159761D+01
                81            82            83            84            85 
      1   0.192336D+01  0.579014D+01 -0.154869D+01 -0.189090D+01  0.734060D+00
      2  -0.159761D+01 -0.154869D+01  0.838414D+00  0.476442D+00  0.102448D+01
      3   0.256384D+01 -0.189090D+01  0.476442D+00  0.111417D+01 -0.451390D+00
                86            87            88            89            90 
      1   0.102448D+01 -0.451390D+00 -0.321865D+01  0.843126D+00  0.301438D+01
      2   0.182765D+01 -0.212586D+01  0.843126D+00 -0.235862D+01 -0.942901D+00
      3  -0.212586D+01  0.616436D+00  0.301438D+01 -0.942901D+00 -0.351538D+01
                91            92            93            94            95 
      1  -0.135558D+01 -0.867293D+00  0.196992D+01 -0.148488D+01 -0.107722D+01
      2  -0.867293D+00 -0.871727D+00  0.301814D+00 -0.107722D+01 -0.113416D+01
      3   0.196992D+01  0.301814D+00 -0.247412D+01  0.646267D+00  0.161490D+01
                96            97            98            99           100 
      1   0.646267D+00  0.234295D+01  0.505736D+00 -0.239935D+01  0.135536D+01
      2   0.161490D+01  0.505736D+00  0.169976D+01 -0.149525D+01  0.867275D+00
      3  -0.243957D+01 -0.239935D+01 -0.149525D+01  0.678980D+01  0.196995D+01
               101           102           103           104           105 
      1   0.867275D+00  0.196995D+01  0.148477D+01  0.107722D+01  0.646250D+00
      2   0.871732D+00  0.301828D+00  0.107722D+01  0.113416D+01  0.161489D+01
      3   0.301828D+00  0.247397D+01  0.646250D+00  0.161489D+01  0.243949D+01
               106           107           108           109           110 
      1   0.234298D+01  0.505768D+00  0.239915D+01  0.108737D+01 -0.943084D+00
      2   0.505768D+00  0.169990D+01  0.149524D+01 -0.943084D+00  0.760920D+00
      3   0.239915D+01  0.149524D+01  0.678974D+01  0.354116D+00  0.153165D+00
               111           112           113           114           115 
      1   0.354116D+00 -0.293085D+01  0.136866D+01  0.117246D+01  0.124459D+01
      2   0.153165D+00  0.136866D+01 -0.467804D+01  0.410828D+00 -0.184819D-01
      3   0.661355D-01  0.117246D+01  0.410828D+00 -0.191209D+01 -0.378066D+00
               116           117           118           119           120 
      1  -0.184819D-01 -0.378066D+00 -0.108730D+01  0.943082D+00  0.354229D+00
      2   0.108250D+01 -0.932504D+00  0.943082D+00 -0.760935D+00  0.153129D+00
      3  -0.932504D+00  0.502529D+00  0.354229D+00  0.153129D+00 -0.661456D-01
               121           122           123           124           125 
      1   0.293107D+01 -0.136859D+01  0.117245D+01  0.124482D+01 -0.184803D-01
      2  -0.136859D+01  0.467778D+01  0.410950D+00 -0.184803D-01  0.108257D+01
      3   0.117245D+01  0.410950D+00  0.191198D+01  0.378043D+00  0.932515D+00
               126           127           128           129           130 
      1   0.378043D+00  0.378844D+01  0.400634D+00 -0.175038D+01  0.186597D+01
      2   0.932515D+00  0.400634D+00  0.104275D+01  0.230589D+00  0.280825D+00
      3   0.502553D+00 -0.175038D+01  0.230589D+00  0.153154D+01 -0.532900D+00
               131           132           133           134           135 
      1   0.280825D+00 -0.532900D+00 -0.320052D+01 -0.820759D-02  0.118293D+01
      2   0.272962D+01 -0.175362D+00 -0.820759D-02 -0.737571D+00  0.470464D+00
      3  -0.175362D+00  0.121061D+01  0.118293D+01  0.470464D+00 -0.105634D+01
               136           137           138           139           140 
      1  -0.378826D+01 -0.401013D+00 -0.175013D+01 -0.186639D+01 -0.281166D+00
      2  -0.401013D+00 -0.104347D+01  0.230618D+00 -0.281166D+00 -0.273048D+01
      3  -0.175013D+01  0.230618D+00 -0.153146D+01 -0.532937D+00 -0.175280D+00
               141           142           143           144 
      1  -0.532937D+00 -0.319949D+01 -0.830583D-02 -0.118250D+01
      2  -0.175280D+00 -0.830583D-02 -0.737424D+00 -0.470465D+00
      3  -0.121074D+01 -0.118250D+01 -0.470465D+00 -0.105566D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.202816D+01 -0.327778D+01 -0.240794D+01 -0.405262D+01 -0.491404D+01
      2   0.103963D+02  0.589162D+01  0.609859D+01  0.640524D+01 -0.101850D+01
      3   0.305214D+01 -0.487723D+01 -0.295698D+01 -0.559010D+01  0.449767D+01
                 6             7             8             9            10 
      1   0.291559D+01  0.850236D+00  0.400706D+01  0.393368D+01  0.209358D+01
      2   0.192398D+01 -0.513813D+01  0.284977D+00 -0.999489D+01 -0.983067D+00
      3   0.310917D+01 -0.849959D+01  0.566164D+01 -0.274387D+01 -0.621298D+01
                11            12            13            14            15 
      1   0.460979D+00  0.758494D+00 -0.206983D+01  0.441523D+01 -0.101987D+02
      2  -0.216383D+01  0.304693D+00 -0.126707D+01  0.355211D+01  0.327928D+01
      3  -0.124498D+01  0.465156D+00  0.140710D+02 -0.170243D+02 -0.849641D+00
                16            17            18            19            20 
      1  -0.189848D+01  0.217491D+01 -0.444211D+01 -0.990352D-01  0.227586D+01
      2  -0.409673D+01  0.528794D+01  0.585157D+01 -0.154672D+01 -0.138473D+01
      3   0.507434D+01 -0.421880D+01 -0.399000D+01  0.105018D+01 -0.686713D+01
                21            22            23            24            25 
      1   0.201576D+01  0.215543D+01  0.502246D+01  0.132404D+01 -0.652701D+00
      2   0.494313D+01 -0.121582D+01  0.494396D+01  0.873484D+00  0.336145D+01
      3   0.303862D+00 -0.170925D+01 -0.773741D+01 -0.725758D+01 -0.148638D+00
                26            27            28            29            30 
      1   0.673900D+01  0.142152D+01  0.174994D+01  0.138156D+01 -0.348009D+00
      2   0.101379D+01  0.112856D+02  0.104908D+02 -0.446280D+00  0.141089D+01
      3  -0.952113D+01  0.110280D+01  0.108813D+01 -0.160355D+01 -0.231903D+00
                31            32            33            34            35 
      1   0.350558D+01 -0.371229D+01 -0.126598D+01  0.588049D+00  0.334249D+01
      2  -0.543890D+01 -0.174692D+01  0.124716D+01 -0.592012D+01 -0.308443D+00
      3   0.344648D+01 -0.167667D+01 -0.182450D+01 -0.287618D+00 -0.118172D+01
                36            37            38            39            40 
      1   0.217526D+01 -0.174927D+01 -0.138159D+01 -0.348119D+00 -0.350522D+01
      2   0.219008D+01 -0.104925D+02  0.445247D+00  0.141291D+01  0.543714D+01
      3   0.855451D+00  0.108719D+01 -0.160336D+01  0.232021D+00  0.344677D+01
                41            42            43            44            45 
      1   0.371383D+01 -0.126644D+01  0.587292D+00  0.334182D+01 -0.217441D+01
      2   0.174590D+01  0.124797D+01 -0.591814D+01 -0.306930D+00 -0.219248D+01
      3  -0.167787D+01  0.182497D+01  0.288194D+00  0.118216D+01  0.854453D+00
                46            47            48            49            50 
      1   0.202727D+01  0.327739D+01 -0.240628D+01  0.405206D+01  0.491262D+01
      2  -0.103951D+02 -0.588991D+01  0.609747D+01 -0.640231D+01  0.101960D+01
      3   0.305210D+01 -0.487641D+01  0.295624D+01 -0.559064D+01  0.449817D+01
                51            52            53            54            55 
      1   0.291606D+01  0.849835D+00  0.400725D+01 -0.393280D+01 -0.209338D+01
      2   0.192186D+01 -0.513849D+01  0.284328D+00  0.999566D+01  0.983892D+00
      3  -0.310937D+01  0.849753D+01 -0.566096D+01 -0.274295D+01 -0.621200D+01
                56            57            58            59            60 
      1  -0.461079D+00  0.757584D+00  0.206955D+01 -0.441510D+01 -0.101986D+02
      2   0.216352D+01  0.304870D+00  0.126581D+01 -0.355199D+01  0.328007D+01
      3  -0.124586D+01 -0.464976D+00  0.140708D+02 -0.170236D+02  0.849545D+00
                61            62            63            64            65 
      1  -0.189829D+01  0.217508D+01  0.444126D+01 -0.446086D+01 -0.289469D+01
      2  -0.409689D+01  0.528738D+01 -0.585056D+01  0.241162D+00 -0.224079D+01
      3  -0.507323D+01  0.421834D+01 -0.398978D+01 -0.128674D+02 -0.608940D+01
                66            67            68            69            70 
      1   0.542567D+01 -0.647443D+01  0.573221D+01 -0.175982D+01  0.531775D+01
      2   0.421256D+01 -0.433191D+00  0.775077D+00 -0.234876D+01 -0.241448D+01
      3   0.624742D+01 -0.190345D+00  0.400001D+01  0.605179D+01  0.993228D+01
                71            72            73            74            75 
      1   0.497582D+01 -0.413072D+01  0.446079D+01  0.289577D+01  0.542540D+01
      2  -0.145649D+01 -0.202489D+01 -0.242133D+00  0.224056D+01  0.421210D+01
      3   0.313559D+01 -0.319112D+01 -0.128677D+02 -0.609089D+01 -0.624668D+01
                76            77            78            79            80 
      1   0.647534D+01 -0.573167D+01 -0.175899D+01  0.531637D+01  0.497625D+01
      2   0.433409D+00 -0.775386D+00 -0.234877D+01 -0.241490D+01 -0.145650D+01
      3  -0.192717D+00  0.399905D+01 -0.605222D+01 -0.993018D+01 -0.313604D+01
                81            82            83            84            85 
      1   0.412935D+01  0.992909D-01 -0.227579D+01  0.201524D+01 -0.215494D+01
      2   0.202472D+01  0.154691D+01  0.138438D+01  0.494277D+01  0.121545D+01
      3  -0.318961D+01  0.104992D+01 -0.686706D+01 -0.303757D+00 -0.170781D+01
                86            87            88            89            90 
      1  -0.502268D+01  0.132444D+01 -0.652393D+00  0.673925D+01 -0.142186D+01
      2  -0.494406D+01  0.873852D+00  0.336070D+01  0.101363D+01 -0.112855D+02
      3  -0.773706D+01  0.725711D+01  0.148627D+00  0.952054D+01  0.110291D+01
                91            92            93            94            95 
      1  -0.957529D+00 -0.132108D+01  0.245836D-02 -0.133596D+01 -0.133548D+01
      2   0.152241D+00  0.543517D+00 -0.138448D+00  0.183344D+01  0.593095D-01
      3  -0.393401D+00 -0.176363D+01  0.213260D+00  0.257772D+00 -0.120093D+01
                96            97            98            99           100 
      1   0.116662D+01  0.166226D+00  0.348305D+01 -0.118314D+01  0.957453D+00
      2   0.594999D+00 -0.293825D+01  0.245395D+00 -0.212751D+01 -0.151812D+00
      3   0.180264D+01 -0.305737D+00  0.218510D+01 -0.623244D+00 -0.393158D+00
               101           102           103           104           105 
      1   0.132102D+01  0.232768D-02  0.133599D+01  0.133514D+01  0.116650D+01
      2  -0.543548D+00 -0.138589D+00 -0.183331D+01 -0.593496D-01  0.594927D+00
      3  -0.176349D+01 -0.213177D+00  0.257969D+00 -0.120060D+01 -0.180257D+01
               106           107           108           109           110 
      1   0.166234D+00  0.348298D+01  0.118260D+01  0.159379D+01  0.932893D+00
      2  -0.293828D+01  0.245187D+00  0.212797D+01 -0.156509D+00 -0.661274D+00
      3   0.305904D+00 -0.218523D+01 -0.622941D+00  0.279275D+01 -0.729251D+00
               111           112           113           114           115 
      1  -0.675910D+00  0.816252D+00  0.774909D+01 -0.408097D+01 -0.104747D+01
      2  -0.457913D-01  0.874395D+00  0.282940D+01 -0.502357D+01 -0.930524D+00
      3  -0.135848D+01  0.105555D+01  0.150948D+02 -0.424898D+01 -0.186863D+01
               116           117           118           119           120 
      1  -0.286442D+01  0.192147D+01 -0.159395D+01 -0.933161D+00 -0.675847D+00
      2  -0.336047D+01  0.332498D+01  0.156408D+00  0.661344D+00 -0.458303D-01
      3  -0.598998D+01  0.381654D+01  0.279305D+01 -0.728916D+00  0.135856D+01
               121           122           123           124           125 
      1  -0.816606D+00 -0.774843D+01 -0.408068D+01 -0.104737D+01 -0.286429D+01
      2  -0.874532D+00 -0.282942D+01 -0.502345D+01 -0.930611D+00 -0.336049D+01
      3   0.105631D+01  0.150949D+02  0.424952D+01  0.186910D+01  0.599069D+01
               126           127           128           129           130 
      1  -0.192114D+01  0.735174D+01  0.233787D+01 -0.477044D+01  0.341843D+01
      2  -0.332504D+01 -0.175356D+01  0.506058D+00 -0.106080D+01 -0.590339D+00
      3   0.381664D+01  0.130029D+02  0.364900D+01 -0.716042D+01  0.719067D+01
               131           132           133           134           135 
      1   0.214347D+01 -0.382649D+01 -0.483567D+01 -0.233194D+01  0.396826D+01
      2   0.624771D-01 -0.546502D+00 -0.455650D+00 -0.193651D+00  0.183431D+01
      3   0.253301D+01 -0.297842D+01 -0.105416D+02 -0.274817D+01  0.477294D+01
               136           137           138           139           140 
      1  -0.735167D+01 -0.233817D+01 -0.477039D+01 -0.341892D+01 -0.214446D+01
      2   0.175359D+01 -0.505788D+00 -0.106026D+01  0.590598D+00 -0.622108D-01
      3   0.130033D+02  0.364945D+01  0.715977D+01  0.719200D+01  0.253491D+01
               141           142           143           144 
      1  -0.382678D+01 -0.483451D+01 -0.233158D+01 -0.396713D+01
      2  -0.546541D+00 -0.455459D+00 -0.193705D+00 -0.183393D+01
      3   0.297841D+01  0.105392D+02  0.274797D+01  0.477177D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.615853D+01  0.441121D-01 -0.117648D+01  0.657722D+01  0.156953D+02
      2   0.345012D+01  0.101756D+01  0.411119D+01 -0.638666D+01 -0.241639D+02
      3   0.270841D+01 -0.106167D+01 -0.293471D+01 -0.190566D+00  0.846856D+01
      4   0.103411D+02  0.190027D+01  0.290325D+01 -0.100686D+02 -0.132442D+02
      5  -0.718256D+01  0.282042D+01 -0.234486D+00 -0.215389D+01 -0.302287D+01
      6  -0.860486D+00 -0.306115D+01  0.817092D+01 -0.461368D+01 -0.801395D+01
                 6             7             8             9            10 
      1   0.430269D+01 -0.122320D+02  0.950560D+01  0.294584D+01  0.526588D-01
      2  -0.293869D+01  0.871532D+01 -0.957062D+01 -0.219891D+01  0.434861D+01
      3  -0.136400D+01  0.351664D+01  0.650202D-01 -0.746935D+00 -0.440127D+01
      4  -0.584726D+01 -0.710665D+00 -0.836874D+01  0.204980D+01  0.561808D+01
      5   0.477508D+01  0.777066D-01  0.487224D+01 -0.701678D+01  0.113577D+01
      6  -0.131792D+02  0.924162D+00 -0.133012D+01 -0.400867D+01  0.363067D+01
                11            12            13            14            15 
      1   0.867858D+01  0.276378D+01  0.906783D+01 -0.285534D+02 -0.370680D+01
      2  -0.382655D+01 -0.202519D+01 -0.273989D+01  0.480710D+02  0.355846D+01
      3  -0.485204D+01 -0.738582D+00 -0.632794D+01 -0.195176D+02  0.148341D+00
      4   0.135808D+02  0.233740D+01  0.164676D+02  0.327915D+02  0.632492D+01
      5   0.238760D+01  0.480200D+01  0.688123D+01  0.132402D+01  0.576276D+01
      6   0.451847D+00 -0.243510D+01  0.227886D+01  0.165900D+02  0.178256D+02
                16            17            18            19            20 
      1   0.444596D+01 -0.104922D+02 -0.109718D+02  0.421949D+02 -0.603784D+01
      2  -0.309195D+01  0.766324D+01  0.275710D+01 -0.254212D+02  0.304241D+01
      3  -0.135401D+01  0.282893D+01  0.821474D+01 -0.167737D+02  0.299544D+01
      4   0.347927D+01  0.818290D+01  0.845965D+01 -0.904084D+01  0.920832D+01
      5   0.598369D+01  0.593072D+01  0.627701D+01  0.160195D+02 -0.347065D+01
      6  -0.150389D+00  0.153549D+02  0.119913D+02 -0.364438D+01  0.331777D+01
                21            22            23            24            25 
      1   0.823470D+01 -0.156575D+00  0.187305D+01  0.275002D+01  0.145960D+02
      2  -0.703021D+01  0.382172D+00 -0.164591D+01 -0.205053D+01 -0.124948D+02
      3  -0.120449D+01 -0.225597D+00 -0.227136D+00 -0.699489D+00 -0.210125D+01
      4  -0.327832D+01  0.105911D+02  0.590509D+01  0.919094D+01 -0.549956D+01
      5   0.144674D+02  0.616911D+00  0.998379D+01 -0.333871D+00  0.182267D+02
      6  -0.483082D+01  0.297460D+01 -0.201842D+01  0.764453D+01 -0.358720D+01
                26            27            28            29            30 
      1  -0.123218D+01  0.512556D+01  0.828744D+00 -0.301383D+01 -0.445066D+01
      2   0.913804D+00 -0.153257D+02  0.182080D+01  0.410958D+01 -0.467102D+01
      3   0.318372D+00  0.102001D+02 -0.264954D+01 -0.109575D+01  0.912168D+01
      4   0.112480D+02 -0.392144D+01 -0.254889D+01 -0.144009D+01  0.220393D+01
      5  -0.557350D+01  0.200457D+02  0.189916D+01  0.137889D+01 -0.708033D+01
      6   0.716646D+01 -0.568172D+01  0.651891D+01  0.399626D+01 -0.155514D+01
                31            32            33            34            35 
      1   0.140584D+01  0.308957D+01 -0.334388D+01 -0.207167D+01 -0.362880D+01
      2   0.307723D+01 -0.519373D+01 -0.712344D+01 -0.378668D+01 -0.136848D+01
      3  -0.448307D+01  0.210416D+01  0.104673D+02  0.585835D+01  0.499728D+01
      4  -0.748041D+01  0.448612D+01  0.182254D+01  0.199756D+01  0.281999D+01
      5   0.236476D+01  0.542783D+01 -0.693676D+01 -0.515104D+01 -0.441968D+01
      6   0.224102D+01 -0.325525D+01 -0.868621D+01 -0.131352D+01 -0.106858D+00
                36            37            38            39            40 
      1   0.142846D+00  0.830317D+00 -0.301352D+01  0.444972D+01  0.140650D+01
      2   0.101606D+02  0.182044D+01  0.410999D+01  0.467095D+01  0.307625D+01
      3  -0.103034D+02 -0.265076D+01 -0.109647D+01 -0.912067D+01 -0.448275D+01
      4  -0.281439D+01 -0.254752D+01 -0.143993D+01 -0.220408D+01 -0.748016D+01
      5   0.153121D+02 -0.189995D+01 -0.137871D+01 -0.707923D+01 -0.236453D+01
      6   0.957343D+01 -0.651868D+01 -0.399690D+01 -0.155480D+01 -0.224181D+01
                41            42            43            44            45 
      1   0.308993D+01  0.334290D+01  0.207026D+01  0.362744D+01  0.143954D+00
      2  -0.519328D+01  0.712307D+01  0.378646D+01  0.136928D+01  0.101595D+02
      3   0.210334D+01 -0.104660D+02 -0.585672D+01 -0.499672D+01 -0.103035D+02
      4   0.448808D+01 -0.182400D+01 -0.199812D+01 -0.282112D+01 -0.281337D+01
      5  -0.542945D+01 -0.693549D+01 -0.514838D+01 -0.441832D+01 -0.153135D+02
      6   0.325602D+01 -0.868734D+01 -0.131309D+01 -0.106733D+00 -0.957374D+01
                46            47            48            49            50 
      1  -0.615942D+01  0.449512D-01  0.117683D+01  0.657625D+01  0.156937D+02
      2   0.345068D+01  0.101587D+01 -0.411161D+01 -0.638665D+01 -0.241637D+02
      3   0.270875D+01 -0.106082D+01  0.293479D+01 -0.189599D+00  0.846998D+01
      4   0.103401D+02  0.189829D+01 -0.290243D+01 -0.100710D+02 -0.132463D+02
      5   0.718385D+01 -0.281975D+01 -0.235837D+00  0.215458D+01  0.302321D+01
      6   0.860557D+00  0.306220D+01  0.816935D+01  0.461348D+01  0.801414D+01
                51            52            53            54            55 
      1  -0.430155D+01  0.122315D+02 -0.950344D+01  0.294460D+01  0.550074D-01
      2   0.293906D+01 -0.871423D+01  0.956902D+01 -0.219867D+01  0.434769D+01
      3   0.136249D+01 -0.351729D+01 -0.655813D-01 -0.745931D+00 -0.440270D+01
      4   0.584730D+01  0.710781D+00  0.836820D+01  0.204939D+01  0.561948D+01
      5   0.477401D+01  0.760968D-01  0.487160D+01  0.701744D+01 -0.113637D+01
      6  -0.131787D+02  0.923664D+00 -0.133037D+01  0.400767D+01 -0.363048D+01
                56            57            58            59            60 
      1   0.867789D+01 -0.276311D+01  0.906733D+01 -0.285520D+02  0.370585D+01
      2  -0.382510D+01  0.202512D+01 -0.273863D+01  0.480713D+02 -0.355823D+01
      3  -0.485279D+01  0.737985D+00 -0.632870D+01 -0.195193D+02 -0.147616D+00
      4   0.135833D+02 -0.233738D+01  0.164694D+02  0.327934D+02 -0.632469D+01
      5  -0.238744D+01  0.480253D+01 -0.688180D+01 -0.132379D+01  0.576375D+01
      6  -0.452933D+00 -0.243392D+01 -0.227895D+01 -0.165900D+02  0.178248D+02
                61            62            63            64            65 
      1  -0.444502D+01  0.104908D+02 -0.109705D+02  0.736229D+01  0.149092D+01
      2   0.309147D+01 -0.766166D+01  0.275736D+01 -0.406754D+01 -0.532698D+01
      3   0.135355D+01 -0.282911D+01  0.821312D+01 -0.329475D+01  0.383606D+01
      4  -0.347890D+01 -0.818174D+01  0.845969D+01 -0.112585D+02  0.107102D+02
      5   0.598388D+01  0.593076D+01 -0.627627D+01 -0.278721D+01  0.214411D+01
      6  -0.149639D+00  0.153545D+02 -0.119901D+02  0.873420D+01 -0.476660D+01
                66            67            68            69            70 
      1   0.200138D+01 -0.993006D+00 -0.123759D+02 -0.366735D+01  0.682905D+00
      2   0.120832D+01 -0.429271D+01  0.211657D+02  0.565659D+01  0.106916D+01
      3  -0.320969D+01  0.528572D+01 -0.878981D+01 -0.198924D+01 -0.175206D+01
      4   0.430226D+01  0.100799D+02 -0.143178D+02 -0.241640D+01  0.708053D+01
      5   0.917626D+01  0.157341D+01 -0.844296D+01 -0.191060D+01  0.722831D+01
      6  -0.546456D+01 -0.166487D+01  0.131515D+02  0.121760D+02 -0.574571D+01
                71            72            73            74            75 
      1  -0.608171D+01 -0.581734D+01  0.736344D+01  0.149271D+01 -0.200094D+01
      2   0.456629D+01 -0.333495D+01 -0.406929D+01 -0.533014D+01 -0.120840D+01
      3   0.151542D+01  0.915230D+01 -0.329415D+01  0.383744D+01  0.320933D+01
      4  -0.506807D+01 -0.587727D+01 -0.112592D+02  0.107099D+02 -0.430240D+01
      5  -0.415964D+01 -0.497253D+01  0.278858D+01 -0.214457D+01  0.917671D+01
      6   0.920015D+01  0.100327D+02 -0.873379D+01  0.476740D+01 -0.546454D+01
                76            77            78            79            80 
      1  -0.992028D+00 -0.123733D+02  0.366754D+01 -0.682179D+00  0.608239D+01
      2  -0.429372D+01  0.211615D+02 -0.565667D+01 -0.106974D+01 -0.456730D+01
      3   0.528575D+01 -0.878821D+01  0.198913D+01  0.175192D+01 -0.151509D+01
      4   0.100795D+02 -0.143192D+02  0.241707D+01 -0.707949D+01  0.506740D+01
      5  -0.157356D+01  0.844424D+01 -0.191126D+01  0.722844D+01 -0.416003D+01
      6   0.166551D+01 -0.131516D+02  0.121764D+02 -0.574436D+01  0.919965D+01
                81            82            83            84            85 
      1  -0.581683D+01  0.421915D+02 -0.603815D+01 -0.823489D+01 -0.157246D+00
      2  -0.333546D+01 -0.254199D+02  0.304291D+01  0.703041D+01  0.382646D+00
      3   0.915228D+01 -0.167717D+02  0.299524D+01  0.120448D+01 -0.225401D+00
      4  -0.587688D+01 -0.904104D+01  0.920807D+01  0.327798D+01  0.105905D+02
      5   0.497255D+01 -0.160200D+02  0.347046D+01  0.144674D+02 -0.616728D+00
      6  -0.100318D+02  0.364399D+01 -0.331787D+01 -0.483044D+01 -0.297388D+01
                86            87            88            89            90 
      1   0.187262D+01 -0.275007D+01 -0.145949D+02  0.123183D+01  0.512466D+01
      2  -0.164633D+01  0.205036D+01  0.124940D+02 -0.913792D+00 -0.153257D+02
      3  -0.226289D+00  0.699708D+00  0.210087D+01 -0.318040D+00  0.102011D+02
      4   0.590543D+01 -0.919035D+01  0.549963D+01 -0.112477D+02 -0.392167D+01
      5  -0.998317D+01 -0.334120D+00  0.182265D+02 -0.557362D+01 -0.200463D+02
      6   0.201829D+01  0.764401D+01 -0.358716D+01  0.716691D+01  0.568217D+01
                91            92            93            94            95 
      1   0.282061D+01  0.139743D+01 -0.379541D+00  0.434552D+00 -0.240350D+01
      2  -0.719951D+01 -0.200279D+01  0.733268D+01 -0.178172D+01 -0.188049D+01
      3   0.437891D+01  0.605369D+00 -0.695314D+01  0.134717D+01  0.428398D+01
      4   0.292727D+01  0.335989D+01 -0.200321D+01  0.444715D+01  0.351145D+01
      5  -0.975034D+01 -0.261571D+01  0.133855D+02 -0.388290D+01 -0.562442D+01
      6  -0.352741D+01 -0.257954D+01  0.297180D+01 -0.330426D+01 -0.557521D+01
                96            97            98            99           100 
      1   0.396300D+01  0.619000D-01  0.256230D+01 -0.104994D+02  0.282034D+01
      2   0.409469D+01  0.705110D+01  0.310491D+01 -0.175493D+02 -0.719917D+01
      3  -0.805769D+01 -0.711300D+01 -0.566721D+01  0.280487D+02  0.437882D+01
      4  -0.415462D+01 -0.215923D+01 -0.381637D+01  0.352944D+01  0.292724D+01
      5   0.777173D+01  0.120195D+02  0.456345D+01 -0.216730D+02  0.975010D+01
      6   0.963577D+01  0.279730D+01  0.647690D+01 -0.942249D+01  0.352776D+01
               101           102           103           104           105 
      1   0.139741D+01  0.379770D+00  0.434473D+00 -0.240351D+01 -0.396279D+01
      2  -0.200279D+01 -0.733220D+01 -0.178143D+01 -0.188031D+01 -0.409432D+01
      3   0.605377D+00  0.695243D+01  0.134696D+01  0.428383D+01  0.805711D+01
      4   0.335999D+01  0.200337D+01  0.444715D+01  0.351160D+01  0.415473D+01
      5   0.261578D+01  0.133849D+02  0.388271D+01  0.562448D+01  0.777157D+01
      6   0.257960D+01  0.297184D+01  0.330427D+01  0.557535D+01  0.963580D+01
               106           107           108           109           110 
      1  -0.615140D-01 -0.256233D+01 -0.104992D+02  0.458321D+01 -0.425677D+01
      2  -0.705073D+01 -0.310494D+01 -0.175484D+02 -0.915468D+00  0.684490D+00
      3   0.711225D+01  0.566727D+01  0.280476D+02 -0.366775D+01  0.357228D+01
      4   0.215936D+01  0.381669D+01  0.352960D+01 -0.546115D+01  0.466728D+01
      5   0.120188D+02  0.456360D+01  0.216729D+02  0.174371D+01  0.662749D+00
      6   0.279743D+01  0.647707D+01  0.942331D+01 -0.861113D-01 -0.181413D+00
               111           112           113           114           115 
      1   0.915532D+00 -0.119761D+02  0.312213D+01  0.306583D+01  0.677542D+01
      2  -0.105087D+01  0.496723D+01  0.400134D+01 -0.383202D+01 -0.349779D+01
      3   0.135341D+00  0.700890D+01 -0.712347D+01  0.766190D+00 -0.327763D+01
      4  -0.399399D+00  0.876039D+01 -0.211120D+02  0.665381D+00 -0.990757D+00
      5   0.262197D+00  0.556921D+01  0.186233D+01 -0.756749D+01 -0.946387D+00
      6  -0.799861D-01 -0.277482D+01  0.500765D+01  0.213682D+01  0.508780D+00
               116           117           118           119           120 
      1  -0.125838D+01 -0.167383D+01  0.458285D+01 -0.425672D+01 -0.915918D+00
      2  -0.217590D+00  0.234399D+01 -0.915193D+00  0.684303D+00  0.105113D+01
      3   0.147597D+01 -0.670161D+00 -0.366766D+01  0.357242D+01 -0.135213D+00
      4   0.481825D+01 -0.306250D+01 -0.546112D+01  0.466724D+01  0.399596D+00
      5  -0.370864D+01  0.327039D+01 -0.174423D+01 -0.662505D+00  0.262138D+00
      6   0.802136D+00  0.277948D+00  0.862919D-01  0.181213D+00 -0.801077D-01
               121           122           123           124           125 
      1  -0.119773D+02  0.312240D+01 -0.306582D+01 -0.677643D+01  0.125845D+01
      2   0.496792D+01  0.400071D+01  0.383200D+01  0.349844D+01  0.217457D+00
      3   0.700937D+01 -0.712310D+01 -0.766174D+00  0.327799D+01 -0.147591D+01
      4   0.876038D+01 -0.211115D+02 -0.666052D+00  0.991096D+00 -0.481876D+01
      5  -0.556897D+01 -0.186304D+01 -0.756744D+01 -0.946132D+00 -0.370887D+01
      6   0.277441D+01 -0.500696D+01  0.213631D+01  0.508578D+00  0.802031D+00
               126           127           128           129           130 
      1  -0.167364D+01 -0.226359D+01 -0.233700D+01 -0.307883D+01 -0.234102D+01
      2   0.234380D+01  0.327377D+01  0.431936D+01 -0.741872D+00  0.273866D+01
      3  -0.670159D+00 -0.101019D+01 -0.198235D+01  0.382070D+01 -0.397637D+00
      4  -0.306274D+01  0.639670D+01 -0.293562D+01 -0.227560D+01  0.426818D+01
      5  -0.327075D+01  0.182289D+01  0.127616D+01 -0.333067D+01  0.172975D+01
      6  -0.278029D+00 -0.460357D+01  0.436924D+01  0.322271D+01 -0.125351D+01
               131           132           133           134           135 
      1  -0.648239D+01 -0.391581D+00  0.146531D+01  0.164550D+01 -0.217678D+00
      2   0.117159D+02 -0.192543D+01 -0.137310D+01 -0.375768D+01  0.218197D+01
      3  -0.523351D+01  0.231701D+01 -0.922124D-01  0.211218D+01 -0.196429D+01
      4  -0.104682D+01 -0.694938D+00 -0.529127D+01  0.392802D+01  0.163662D+01
      5   0.701898D+00 -0.156085D+01 -0.373910D+00 -0.530778D+00  0.243223D+01
      6   0.184206D+01  0.389585D+01  0.354035D+01  0.148869D+01 -0.246310D+01
               136           137           138           139           140 
      1  -0.226398D+01 -0.233892D+01  0.307832D+01 -0.234234D+01 -0.648460D+01
      2   0.327494D+01  0.432228D+01  0.741743D+00  0.274055D+01  0.117198D+02
      3  -0.101096D+01 -0.198336D+01 -0.382007D+01 -0.398212D+00 -0.523515D+01
      4   0.639673D+01 -0.293327D+01  0.227522D+01  0.426912D+01 -0.104641D+01
      5  -0.182316D+01 -0.127663D+01 -0.332998D+01 -0.173019D+01 -0.702107D+00
      6   0.460252D+01 -0.436912D+01  0.322278D+01  0.125338D+01 -0.184340D+01
               141           142           143           144 
      1   0.391897D+00 -0.146548D+01 -0.164540D+01 -0.218295D+00
      2   0.192535D+01  0.137321D+01  0.375793D+01  0.218173D+01
      3  -0.231725D+01  0.922753D-01 -0.211253D+01 -0.196343D+01
      4   0.695195D+00  0.528976D+01 -0.392690D+01  0.163606D+01
      5  -0.156101D+01 -0.373502D+00 -0.530851D+00 -0.243149D+01
      6   0.389607D+01  0.353924D+01  0.148932D+01  0.246142D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:27:39 2021, MaxMem=  5637144576 cpu:            7612.5 elap:             964.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.22297 -19.22296 -19.19099 -19.19098 -19.17308
 Alpha  occ. eigenvalues --  -19.17306 -10.35961 -10.35961 -10.30126 -10.30113
 Alpha  occ. eigenvalues --   -1.14458  -1.13842  -1.07337  -1.06989  -1.05667
 Alpha  occ. eigenvalues --   -1.04411  -0.80176  -0.72623  -0.65178  -0.65171
 Alpha  occ. eigenvalues --   -0.61238  -0.57930  -0.57817  -0.52169  -0.51709
 Alpha  occ. eigenvalues --   -0.49914  -0.49162  -0.46989  -0.45963  -0.45148
 Alpha  occ. eigenvalues --   -0.42369  -0.41787  -0.38378  -0.38318  -0.36736
 Alpha  occ. eigenvalues --   -0.36370  -0.36267  -0.30880  -0.30542
 Alpha virt. eigenvalues --   -0.04946  -0.03822  -0.00232   0.00182   0.02486
 Alpha virt. eigenvalues --    0.02989   0.05609   0.05993   0.06741   0.08006
 Alpha virt. eigenvalues --    0.08290   0.10040   0.10697   0.11508   0.12130
 Alpha virt. eigenvalues --    0.12307   0.12815   0.13775   0.14565   0.14726
 Alpha virt. eigenvalues --    0.15313   0.15433   0.16137   0.17750   0.18371
 Alpha virt. eigenvalues --    0.19217   0.19402   0.19834   0.22002   0.22253
 Alpha virt. eigenvalues --    0.22402   0.22672   0.24250   0.24986   0.25359
 Alpha virt. eigenvalues --    0.25774   0.27350   0.27398   0.28859   0.29076
 Alpha virt. eigenvalues --    0.29698   0.30732   0.31476   0.32820   0.33167
 Alpha virt. eigenvalues --    0.33995   0.34051   0.34551   0.36152   0.36498
 Alpha virt. eigenvalues --    0.36863   0.36996   0.38459   0.39439   0.40340
 Alpha virt. eigenvalues --    0.41587   0.42478   0.42821   0.43650   0.44206
 Alpha virt. eigenvalues --    0.44838   0.45686   0.46343   0.46714   0.48080
 Alpha virt. eigenvalues --    0.48116   0.48416   0.49041   0.49731   0.51184
 Alpha virt. eigenvalues --    0.52029   0.52215   0.53145   0.53955   0.56144
 Alpha virt. eigenvalues --    0.56383   0.57452   0.58171   0.58420   0.58996
 Alpha virt. eigenvalues --    0.59861   0.61023   0.61473   0.61587   0.62659
 Alpha virt. eigenvalues --    0.62758   0.64363   0.64771   0.64860   0.66058
 Alpha virt. eigenvalues --    0.67680   0.67901   0.68953   0.69295   0.72556
 Alpha virt. eigenvalues --    0.73105   0.74765   0.75554   0.76118   0.76705
 Alpha virt. eigenvalues --    0.77134   0.77140   0.79652   0.80758   0.82992
 Alpha virt. eigenvalues --    0.84005   0.85742   0.85865   0.86930   0.88662
 Alpha virt. eigenvalues --    0.91798   0.92567   0.93046   0.94160   0.96056
 Alpha virt. eigenvalues --    0.98551   1.00290   1.00912   1.02744   1.04115
 Alpha virt. eigenvalues --    1.06931   1.07541   1.09534   1.11003   1.12043
 Alpha virt. eigenvalues --    1.12924   1.13963   1.18818   1.20329   1.21180
 Alpha virt. eigenvalues --    1.26970   1.27723   1.30115   1.35537   1.42325
 Alpha virt. eigenvalues --    1.43198   1.44576   1.47652   1.48834   1.49605
 Alpha virt. eigenvalues --    1.49642   1.53688   1.57435   1.61310   1.61905
 Alpha virt. eigenvalues --    1.63691   1.64874   1.67399   1.68657   1.69594
 Alpha virt. eigenvalues --    1.72651   1.73934   1.75168   1.76728   1.76809
 Alpha virt. eigenvalues --    1.77514   1.80635   1.82913   1.85410   1.85840
 Alpha virt. eigenvalues --    1.87090   1.88618   1.91577   1.91999   1.93739
 Alpha virt. eigenvalues --    1.95720   1.97225   1.98282   2.01590   2.02599
 Alpha virt. eigenvalues --    2.04234   2.04697   2.08947   2.10917   2.12506
 Alpha virt. eigenvalues --    2.14158   2.14943   2.15901   2.19752   2.22615
 Alpha virt. eigenvalues --    2.24184   2.28709   2.32317   2.32940   2.34721
 Alpha virt. eigenvalues --    2.37950   2.37963   2.42399   2.44266   2.49044
 Alpha virt. eigenvalues --    2.51329   2.53853   2.56209   2.56229   2.76380
 Alpha virt. eigenvalues --    2.84606   2.86120   2.90837   2.92719   2.94388
 Alpha virt. eigenvalues --    2.94430   2.97052   2.97392   3.00065   3.02886
 Alpha virt. eigenvalues --    3.03729   3.06478   3.07590   3.08418   3.14590
 Alpha virt. eigenvalues --    3.16411   3.21236   3.21747   3.22750   3.25780
 Alpha virt. eigenvalues --    3.43804   3.44443   3.48965   3.55320   3.58680
 Alpha virt. eigenvalues --    3.58865   3.77150   3.78250   3.90277   3.92240
 Alpha virt. eigenvalues --    3.93803   3.96837
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.376277  -0.219645  -0.310352  -0.749824  -0.059184   0.041071
     2  O   -0.219645   8.540488   0.154477   0.191223   0.008433  -0.030152
     3  O   -0.310352   0.154477   8.198329   0.175282   0.006957  -0.029414
     4  C   -0.749824   0.191223   0.175282   5.553749   0.328154  -0.059186
     5  C   -0.059184   0.008433   0.006957   0.328154   5.553905  -0.750104
     6  C    0.041071  -0.030152  -0.029414  -0.059186  -0.750104   6.376704
     7  O   -0.030161   0.017241  -0.001005   0.008449   0.191312  -0.219811
     8  O    0.208916  -0.034589  -0.087080  -0.269755  -0.129950   0.036027
     9  O    0.035987  -0.083512  -0.015552  -0.129914  -0.269794   0.208980
    10  O   -0.029408  -0.001009   0.013000   0.006951   0.175323  -0.310441
    11  H   -0.047075   0.012326   0.009435   0.323722   0.026696   0.003563
    12  H    0.003553   0.007284   0.000956   0.026731   0.323746  -0.047093
    13  H    0.007286   0.002118  -0.000531   0.000946  -0.054958   0.165837
    14  H    0.165800  -0.030617   0.148289  -0.054923   0.000944   0.007287
    15  H   -0.046518   0.003229   0.011877   0.117151   0.019190  -0.010457
    16  H   -0.010463   0.029790   0.002215   0.019209   0.117175  -0.046538
               7          8          9         10         11         12
     1  C   -0.030161   0.208916   0.035987  -0.029408  -0.047075   0.003553
     2  O    0.017241  -0.034589  -0.083512  -0.001009   0.012326   0.007284
     3  O   -0.001005  -0.087080  -0.015552   0.013000   0.009435   0.000956
     4  C    0.008449  -0.269755  -0.129914   0.006951   0.323722   0.026731
     5  C    0.191312  -0.129950  -0.269794   0.175323   0.026696   0.323746
     6  C   -0.219811   0.036027   0.208980  -0.310441   0.003563  -0.047093
     7  O    8.540609  -0.083561  -0.034605   0.154515   0.007284   0.012318
     8  O   -0.083561   8.743885   0.045498  -0.015558  -0.080186   0.045864
     9  O   -0.034605   0.045498   8.743867  -0.087088   0.045857  -0.080184
    10  O    0.154515  -0.015558  -0.087088   8.198354   0.000955   0.009438
    11  H    0.007284  -0.080186   0.045857   0.000955   1.044569  -0.107081
    12  H    0.012318   0.045864  -0.080184   0.009438  -0.107081   1.044493
    13  H   -0.030624   0.001628   0.049634   0.148282  -0.000319   0.007564
    14  H    0.002118   0.049619   0.001627  -0.000531   0.007563  -0.000320
    15  H    0.029777   0.129757  -0.001579   0.002213   0.009872  -0.008413
    16  H    0.003230  -0.001583   0.129724   0.011879  -0.008408   0.009860
              13         14         15         16
     1  C    0.007286   0.165800  -0.046518  -0.010463
     2  O    0.002118  -0.030617   0.003229   0.029790
     3  O   -0.000531   0.148289   0.011877   0.002215
     4  C    0.000946  -0.054923   0.117151   0.019209
     5  C   -0.054958   0.000944   0.019190   0.117175
     6  C    0.165837   0.007287  -0.010457  -0.046538
     7  O   -0.030624   0.002118   0.029777   0.003230
     8  O    0.001628   0.049619   0.129757  -0.001583
     9  O    0.049634   0.001627  -0.001579   0.129724
    10  O    0.148282  -0.000531   0.002213   0.011879
    11  H   -0.000319   0.007563   0.009872  -0.008408
    12  H    0.007564  -0.000320  -0.008413   0.009860
    13  H    0.508594  -0.000134   0.000124  -0.005832
    14  H   -0.000134   0.508577  -0.005827   0.000124
    15  H    0.000124  -0.005827   0.474154   0.000018
    16  H   -0.005832   0.000124   0.000018   0.474188
 Mulliken charges:
               1
     1  C    0.663740
     2  O   -0.567086
     3  O   -0.276883
     4  C    0.512036
     5  C    0.512156
     6  C    0.663727
     7  O   -0.567085
     8  O   -0.558932
     9  O   -0.558946
    10  O   -0.276874
    11  H   -0.248773
    12  H   -0.248716
    13  H    0.200387
    14  H    0.200404
    15  H    0.275434
    16  H    0.275412
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.663740
     2  O   -0.567086
     3  O   -0.076479
     4  C    0.263263
     5  C    0.263440
     6  C    0.663727
     7  O   -0.567085
     8  O   -0.283497
     9  O   -0.283534
    10  O   -0.076487
 Electronic spatial extent (au):  <R**2>=           1293.0623
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0001    Y=             -0.0003    Z=              2.4351  Tot=              2.4351
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -59.6520   YY=            -62.9364   ZZ=            -60.9476
   XY=             -5.5589   XZ=             -0.0005   YZ=             -0.0005
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5267   YY=             -1.7577   ZZ=              0.2311
   XY=             -5.5589   XZ=             -0.0005   YZ=             -0.0005
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0006  YYY=             -0.0034  ZZZ=              2.8418  XYY=              0.0000
  XXY=              0.0002  XXZ=             10.9427  XZZ=             -0.0003  YZZ=              0.0002
  YYZ=             -4.2283  XYZ=             14.7151
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -820.0490 YYYY=           -460.5216 ZZZZ=           -270.3266 XXXY=            -39.0775
 XXXZ=             -0.0028 YYYX=            -28.9655 YYYZ=             -0.0039 ZZZX=             -0.0005
 ZZZY=              0.0009 XXYY=           -212.6038 XXZZ=           -196.3018 YYZZ=           -139.2003
 XXYZ=              0.0017 YYXZ=             -0.0010 ZZXY=              3.1838
 N-N= 5.913629296224D+02 E-N=-2.606046799031D+03  KE= 6.017545108025D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:27:40 2021, MaxMem=  5637144576 cpu:               5.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.19188643D-05-1.01865537D-04 9.35564656D-01
 Polarizability= 6.82333002D+01-5.89844644D+00 7.18317221D+01
                -2.96794281D-04 1.99158540D-04 5.71173438D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0001    0.0001       -3.0249   -3.0258
 2     -0.0001   -0.0001       -0.0001   -0.0001        1.9882    1.9872
 3      3.0249    3.0258        5.6142    5.6169        0.0001    0.0001
 4      0.0001    0.0001        0.0000    0.0000        3.0260    3.0258
 5     -7.6024   -7.6041       -3.0260   -3.0258        0.0001    0.0001
 6     -0.0001   -0.0001       -0.0001   -0.0001       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0004   -0.0004       -9.0773   -9.0773
 2      0.0003    0.0003       -0.0000    0.0000       -9.0773   -9.0773
 3      0.0003    0.0003       -0.0004   -0.0004        0.0000    0.0000
 4     -0.0004   -0.0004       -0.0003   -0.0003        5.9616    5.9616
 5      9.0773    9.0773       16.8506   16.8506        0.0003    0.0003
 6    -22.8122  -22.8122       -9.0773   -9.0773        0.0004    0.0004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0001    0.0000       -0.0005   -0.0005       12.1054   12.1031
 2      0.0005    0.0005        0.0004    0.0004       -7.9539   -7.9489
 3    -12.1070  -12.1031      -22.5346  -22.4674       -0.0004   -0.0004
 4     -0.0004   -0.0004       -0.0000    0.0000      -12.0717  -12.1031
 5     30.3693   30.4163       12.1423   12.1031       -0.0005   -0.0005
 6      0.0004    0.0004        0.0005    0.0005        0.0374    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0003    0.0004       21.7961   21.8320
 2     -0.0003   -0.0004       -0.0006   -0.0007       37.0878   37.1087
 3    -21.8472  -21.8320      -14.5253  -14.6241        0.0006    0.0007
 4      0.0006    0.0007        0.0000    0.0000      -21.8059  -21.8320
 5    -22.4443  -22.4846       21.8892   21.8320        0.0004    0.0004
 6     -0.0006   -0.0007       -0.0004   -0.0004       -0.0208    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0007    0.0007       -0.0020   -0.0020      -20.9096  -20.8172
 2      0.0009    0.0009       -0.0032   -0.0032      -20.8466  -20.8172
 3      0.0009    0.0009       -0.0020   -0.0020      -40.3608  -40.3508
 4      0.0012    0.0012       -0.0001   -0.0002       45.3876   45.3058
 5    -19.5360  -19.5337      -14.1794  -14.2132        0.0001    0.0002
 6    -31.0943  -31.0926       19.6078   19.5337       -0.0011   -0.0012
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.5824   -4.8554   -2.4419    0.0002    0.0005    0.0006
 Low frequencies ---   60.1483   80.2874   98.5271
 Diagonal vibrational polarizability:
       56.9005948      18.0374059      31.6821870
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     60.1483                80.2874                98.5269
 Red. masses --      9.4010                11.0952                10.0636
 Frc consts  --      0.0200                 0.0421                 0.0576
 IR Inten    --      1.4532                 0.3799                 4.5348
 RamAct Fr= 1--      1.2833                 0.8567                 0.5538
  Dep-P Fr= 1--      0.7470                 0.7113                 0.7500
  Dep-U Fr= 1--      0.8552                 0.8313                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0000
 Beta2  Fr= 1--      0.1829                 0.1187                 0.0791
 AlphaG Fr= 1--      0.0017                 0.0008                -0.0000
 Gamma2 Fr= 1--     -0.2720                -0.0833                 0.0382
 Delta2 Fr= 1--     -0.0795                -0.0235                 0.0385
 Raman1 Fr= 1--       5.133                  3.427                  2.215
 ROA1   Fr= 1--     -28.658                 -8.748                  4.902
 CID1   Fr= 1--      -5.583                 -2.553                  2.213
 Raman2 Fr= 1--       2.195                  1.424                  0.949
 ROA2   Fr= 1--      -5.893                 -1.810                  0.610
 CID2   Fr= 1--      -2.685                 -1.271                  0.643
 Raman3 Fr= 1--       4.390                  2.849                  1.899
 ROA3   Fr= 1--     -28.658                 -8.748                  4.902
 CID3   Fr= 1--      -6.528                 -3.071                  2.582
 RC180  Fr= 1--       0.710                  0.663                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.04    -0.17  -0.07   0.05     0.04  -0.01  -0.05
     2   8    -0.19  -0.20   0.30    -0.23  -0.09   0.09     0.28   0.09  -0.22
     3   8     0.22  -0.02  -0.22    -0.32  -0.13   0.20    -0.26  -0.18   0.19
     4   6    -0.01  -0.00  -0.00     0.01   0.03  -0.11     0.00   0.05  -0.05
     5   6     0.01   0.00  -0.00    -0.01  -0.03  -0.11     0.00   0.05   0.05
     6   6     0.01   0.08   0.04     0.17   0.07   0.05     0.04  -0.01   0.05
     7   8     0.19   0.20   0.30     0.23   0.09   0.09     0.28   0.09   0.22
     8   8    -0.02  -0.01  -0.09     0.05   0.04  -0.24    -0.03   0.05  -0.14
     9   8     0.02   0.01  -0.09    -0.05  -0.04  -0.24    -0.03   0.05   0.14
    10   8    -0.22   0.02  -0.22     0.32   0.13   0.20    -0.26  -0.18  -0.19
    11   1     0.01   0.04   0.02     0.04   0.15  -0.03    -0.04   0.10  -0.05
    12   1    -0.01  -0.04   0.02    -0.04  -0.15  -0.03    -0.04   0.10   0.05
    13   1    -0.30  -0.03  -0.33     0.21   0.09   0.10    -0.33  -0.18  -0.19
    14   1     0.30   0.03  -0.33    -0.21  -0.09   0.10    -0.33  -0.18   0.19
    15   1     0.12   0.01   0.08     0.10  -0.02  -0.23     0.02   0.06  -0.07
    16   1    -0.12  -0.01   0.08    -0.10   0.02  -0.23     0.02   0.06   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --    235.6803               258.0366               313.1501
 Red. masses --      7.0100                 7.0185                 6.1835
 Frc consts  --      0.2294                 0.2753                 0.3573
 IR Inten    --      1.1777                45.7005                27.4254
 RamAct Fr= 1--      0.6380                 0.0204                 1.1371
  Dep-P Fr= 1--      0.2134                 0.7500                 0.1179
  Dep-U Fr= 1--      0.3517                 0.8571                 0.2109
 Alpha2 Fr= 1--      0.0084                 0.0000                 0.0191
 Beta2  Fr= 1--      0.0374                 0.0029                 0.0400
 AlphaG Fr= 1--     -0.0124                -0.0000                -0.0040
 Gamma2 Fr= 1--     -0.2197                 0.1001                 0.3393
 Delta2 Fr= 1--     -0.1472                -0.0037                 0.1824
 Raman1 Fr= 1--       2.552                  0.082                  4.549
 ROA1   Fr= 1--     -25.797                  9.496                 38.415
 CID1   Fr= 1--     -10.108                116.441                  8.445
 Raman2 Fr= 1--       0.449                  0.035                  0.480
 ROA2   Fr= 1--      -4.094                  2.433                  6.685
 CID2   Fr= 1--      -9.122                 69.596                 13.934
 Raman3 Fr= 1--       0.898                  0.070                  0.959
 ROA3   Fr= 1--     -25.797                  9.496                 38.415
 CID3   Fr= 1--     -28.737                135.849                 40.038
 RC180  Fr= 1--      -0.297                  0.714                 -0.578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09     0.04   0.02   0.07     0.03  -0.08   0.05
     2   8     0.23   0.04   0.06     0.19   0.03   0.13    -0.04  -0.05  -0.11
     3   8     0.09  -0.08   0.04     0.03  -0.14  -0.08     0.15   0.15   0.19
     4   6     0.02   0.11   0.08    -0.04   0.07   0.08     0.00  -0.09   0.07
     5   6    -0.02  -0.11   0.08    -0.04   0.07  -0.08    -0.00   0.09   0.07
     6   6    -0.11  -0.01   0.09     0.04   0.02  -0.07    -0.03   0.08   0.05
     7   8    -0.23  -0.04   0.06     0.19   0.03  -0.13     0.04   0.05  -0.11
     8   8     0.18   0.14  -0.22    -0.19   0.04   0.26    -0.12  -0.09  -0.18
     9   8    -0.18  -0.14  -0.22    -0.19   0.04  -0.26     0.12   0.09  -0.18
    10   8    -0.09   0.08   0.04     0.03  -0.14   0.08    -0.15  -0.15   0.19
    11   1    -0.09   0.30   0.12     0.06  -0.06   0.07    -0.00  -0.00   0.11
    12   1     0.09  -0.30   0.12     0.06  -0.06  -0.07     0.00   0.00   0.11
    13   1    -0.07   0.04  -0.03    -0.21  -0.12   0.12    -0.36  -0.07   0.37
    14   1     0.07  -0.04  -0.03    -0.21  -0.12  -0.12     0.36   0.07   0.37
    15   1     0.26  -0.08  -0.31    -0.28   0.20   0.30    -0.08  -0.10  -0.15
    16   1    -0.26   0.08  -0.31    -0.28   0.20  -0.30     0.08   0.10  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    316.8206               383.7256               436.0389
 Red. masses --      6.5230                 9.9559                 6.7727
 Frc consts  --      0.3858                 0.8637                 0.7587
 IR Inten    --     17.3903                 0.5802                31.4800
 RamAct Fr= 1--      0.0641                 2.3412                 1.0015
  Dep-P Fr= 1--      0.7500                 0.7284                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8428                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0000
 Beta2  Fr= 1--      0.0092                 0.3289                 0.1431
 AlphaG Fr= 1--      0.0000                -0.0053                -0.0000
 Gamma2 Fr= 1--     -0.0353                -0.1444                 1.2814
 Delta2 Fr= 1--     -0.0221                -0.2209                 0.4779
 Raman1 Fr= 1--       0.256                  9.365                  4.006
 ROA1   Fr= 1--      -4.093                -20.928                138.306
 CID1   Fr= 1--     -15.967                 -2.235                 34.524
 Raman2 Fr= 1--       0.110                  3.947                  1.717
 ROA2   Fr= 1--      -0.670                 -1.697                 26.931
 CID2   Fr= 1--      -6.100                 -0.430                 15.686
 Raman3 Fr= 1--       0.220                  7.893                  3.434
 ROA3   Fr= 1--      -4.093                -20.928                138.306
 CID3   Fr= 1--     -18.628                 -2.651                 40.278
 RC180  Fr= 1--       0.714                  0.686                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05  -0.08     0.05  -0.18  -0.05     0.17   0.02  -0.19
     2   8    -0.02   0.03   0.03    -0.09  -0.18  -0.18    -0.17  -0.11  -0.03
     3   8    -0.16  -0.11  -0.17     0.08  -0.09   0.06    -0.05  -0.07   0.04
     4   6    -0.05   0.01  -0.05     0.07  -0.10   0.02     0.24   0.12  -0.18
     5   6    -0.05   0.01   0.05    -0.07   0.10   0.02     0.24   0.12   0.18
     6   6    -0.06   0.05   0.08    -0.05   0.18  -0.05     0.17   0.02   0.19
     7   8    -0.02   0.03  -0.03     0.09   0.18  -0.18    -0.17  -0.11   0.03
     8   8     0.29   0.04   0.13     0.37  -0.09   0.14    -0.08   0.07   0.09
     9   8     0.29   0.04  -0.13    -0.37   0.09   0.14    -0.08   0.07  -0.09
    10   8    -0.16  -0.11   0.17    -0.08   0.09   0.06    -0.05  -0.07  -0.04
    11   1    -0.18  -0.01  -0.11     0.04  -0.12  -0.01     0.13  -0.07  -0.32
    12   1    -0.18  -0.01   0.11    -0.04   0.12  -0.01     0.13  -0.07   0.32
    13   1    -0.30  -0.04   0.33    -0.15   0.10   0.07     0.03  -0.03   0.06
    14   1    -0.30  -0.04  -0.33     0.15  -0.10   0.07     0.03  -0.03  -0.06
    15   1     0.24  -0.06  -0.01     0.33  -0.16   0.01    -0.16   0.28   0.17
    16   1     0.24  -0.06   0.01    -0.33   0.16   0.01    -0.16   0.28  -0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    523.9481               540.3329               588.7258
 Red. masses --      4.9972                 7.8581                 6.2214
 Frc consts  --      0.8083                 1.3517                 1.2705
 IR Inten    --      9.0176                 1.6826                 0.3915
 RamAct Fr= 1--      3.9849                 2.2929                 4.9134
  Dep-P Fr= 1--      0.0821                 0.7500                 0.3286
  Dep-U Fr= 1--      0.1517                 0.8571                 0.4947
 Alpha2 Fr= 1--      0.0729                 0.0000                 0.0462
 Beta2  Fr= 1--      0.1008                 0.3276                 0.4051
 AlphaG Fr= 1--     -0.0312                -0.0000                 0.0754
 Gamma2 Fr= 1--      0.7552                -0.9439                -0.2819
 Delta2 Fr= 1--      0.3456                 0.1989                -0.8723
 Raman1 Fr= 1--      15.940                  9.172                 19.653
 ROA1   Fr= 1--      83.561                -84.252                -54.979
 CID1   Fr= 1--       5.242                 -9.186                 -2.797
 Raman2 Fr= 1--       1.209                  3.931                  4.861
 ROA2   Fr= 1--      15.361                -24.246                  0.211
 CID2   Fr= 1--      12.703                 -6.168                  0.043
 Raman3 Fr= 1--       2.418                  7.861                  9.723
 ROA3   Fr= 1--      83.561                -84.252                -54.979
 CID3   Fr= 1--      34.553                -10.717                 -5.655
 RC180  Fr= 1--      -0.697                  0.714                 -0.011
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.05   0.14    -0.08  -0.18   0.13    -0.12   0.05   0.07
     2   8    -0.09   0.05  -0.15    -0.10  -0.08  -0.26     0.08   0.11   0.09
     3   8     0.01  -0.07  -0.12     0.12  -0.10  -0.01    -0.07   0.05  -0.08
     4   6    -0.07   0.02   0.25    -0.03   0.13   0.16    -0.02  -0.16   0.04
     5   6     0.07  -0.02   0.25    -0.03   0.13  -0.16     0.02   0.16   0.04
     6   6     0.12   0.05   0.14    -0.08  -0.18  -0.13     0.12  -0.05   0.07
     7   8     0.09  -0.05  -0.15    -0.10  -0.08   0.26    -0.08  -0.11   0.09
     8   8    -0.03   0.05  -0.02     0.05   0.21   0.07     0.11  -0.28  -0.08
     9   8     0.03  -0.05  -0.02     0.05   0.21  -0.07    -0.11   0.28  -0.08
    10   8    -0.01   0.07  -0.12     0.12  -0.10   0.01     0.07  -0.05  -0.08
    11   1    -0.06   0.20   0.33     0.18   0.28   0.33     0.15  -0.25   0.08
    12   1     0.06  -0.20   0.33     0.18   0.28  -0.33    -0.15   0.25   0.08
    13   1     0.28   0.08  -0.12    -0.00  -0.12  -0.02     0.12  -0.05  -0.07
    14   1    -0.28  -0.08  -0.12    -0.00  -0.12   0.02    -0.12   0.05  -0.07
    15   1    -0.12  -0.10  -0.25     0.09   0.06  -0.01     0.16  -0.40  -0.12
    16   1     0.12   0.10  -0.25     0.09   0.06   0.01    -0.16   0.40  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    616.0253               674.3790               684.6102
 Red. masses --      3.7552                 1.1527                 1.1051
 Frc consts  --      0.8396                 0.3089                 0.3052
 IR Inten    --      4.0828                 4.1135               182.2890
 RamAct Fr= 1--      1.3586                 0.9082                 0.2550
  Dep-P Fr= 1--      0.7500                 0.6846                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8128                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0000
 Beta2  Fr= 1--      0.1941                 0.1230                 0.0364
 AlphaG Fr= 1--      0.0000                 0.0229                 0.0000
 Gamma2 Fr= 1--      1.2081                -0.5368                -0.1107
 Delta2 Fr= 1--      0.3802                -0.0402                 0.1520
 Raman1 Fr= 1--       5.434                  3.633                  1.020
 ROA1   Fr= 1--     128.141                -52.819                 -5.762
 CID1   Fr= 1--      23.580                -14.539                 -5.649
 Raman2 Fr= 1--       2.329                  1.476                  0.437
 ROA2   Fr= 1--      25.952                -12.561                 -3.873
 CID2   Fr= 1--      11.143                 -8.508                 -8.859
 Raman3 Fr= 1--       4.658                  2.953                  0.874
 ROA3   Fr= 1--     128.141                -52.819                 -5.762
 CID3   Fr= 1--      27.510                -17.888                 -6.591
 RC180  Fr= 1--       0.714                  0.626                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.07   0.10     0.00   0.01  -0.00    -0.01   0.01   0.02
     2   8    -0.07   0.12  -0.04    -0.00   0.01  -0.03    -0.01   0.02  -0.00
     3   8    -0.02  -0.07  -0.10    -0.03  -0.03   0.01    -0.02  -0.02   0.00
     4   6     0.19  -0.01   0.08    -0.01  -0.01   0.04     0.01  -0.01   0.02
     5   6     0.19  -0.01  -0.08     0.01   0.01   0.04     0.01  -0.01  -0.02
     6   6    -0.01   0.07  -0.10    -0.00  -0.01  -0.00    -0.01   0.01  -0.02
     7   8    -0.07   0.12   0.04     0.00  -0.01  -0.03    -0.01   0.02   0.00
     8   8    -0.03  -0.10  -0.06    -0.02  -0.00  -0.02    -0.01  -0.01  -0.03
     9   8    -0.03  -0.10   0.06     0.02   0.00  -0.02    -0.01  -0.01   0.03
    10   8    -0.02  -0.07   0.10     0.03   0.03   0.01    -0.02  -0.02  -0.00
    11   1     0.37  -0.01   0.17    -0.05  -0.01   0.02     0.05  -0.03   0.02
    12   1     0.37  -0.01  -0.17     0.04   0.01   0.02     0.05  -0.03  -0.02
    13   1    -0.37  -0.06   0.13    -0.32  -0.13  -0.33     0.30   0.13   0.33
    14   1    -0.37  -0.06  -0.13     0.31   0.13  -0.33     0.31   0.14  -0.34
    15   1    -0.18  -0.03  -0.19     0.29   0.04   0.42     0.29   0.07   0.43
    16   1    -0.18  -0.03   0.19    -0.30  -0.04   0.42     0.28   0.07  -0.43
                     16                     17                     18
                      A                      A                      A
 Frequencies --    731.6679               806.7160               816.6370
 Red. masses --      6.9600                 6.1376                 5.2323
 Frc consts  --      2.1953                 2.3534                 2.0559
 IR Inten    --      0.2850                 5.7443                 1.0486
 RamAct Fr= 1--      3.2320                 1.8647                 7.0223
  Dep-P Fr= 1--      0.0339                 0.7500                 0.0416
  Dep-U Fr= 1--      0.0656                 0.8571                 0.0800
 Alpha2 Fr= 1--      0.0663                 0.0000                 0.1415
 Beta2  Fr= 1--      0.0354                 0.2664                 0.0936
 AlphaG Fr= 1--      0.0101                 0.0000                 0.1068
 Gamma2 Fr= 1--      0.8201                -1.0260                 0.0944
 Delta2 Fr= 1--     -0.0600                -0.6269                -0.1140
 Raman1 Fr= 1--      12.928                  7.459                 28.089
 ROA1   Fr= 1--      76.807               -118.558                  5.413
 CID1   Fr= 1--       5.941                -15.895                  0.193
 Raman2 Fr= 1--       0.424                  3.197                  1.123
 ROA2   Fr= 1--      20.162                -19.608                  3.178
 CID2   Fr= 1--      47.520                 -6.134                  2.830
 Raman3 Fr= 1--       0.849                  6.393                  2.246
 ROA3   Fr= 1--      76.807               -118.558                  5.413
 CID3   Fr= 1--      90.513                -18.544                  2.410
 RC180  Fr= 1--      -0.869                  0.714                 -0.840
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.32   0.20  -0.07     0.22   0.14   0.04    -0.08   0.00   0.24
     2   8    -0.18   0.11   0.02    -0.14   0.12  -0.01    -0.03   0.13  -0.06
     3   8     0.04  -0.15   0.04     0.13  -0.17   0.11     0.14  -0.11   0.04
     4   6     0.07  -0.01   0.08    -0.19  -0.03   0.00     0.09   0.02  -0.23
     5   6    -0.07   0.01   0.08    -0.19  -0.03  -0.00    -0.09  -0.02  -0.23
     6   6    -0.32  -0.20  -0.07     0.22   0.14  -0.04     0.08  -0.00   0.24
     7   8     0.18  -0.11   0.02    -0.14   0.12   0.01     0.03  -0.13  -0.06
     8   8    -0.01  -0.11  -0.05     0.02  -0.02  -0.01    -0.01  -0.02   0.02
     9   8     0.01   0.11  -0.05     0.02  -0.02   0.01     0.01   0.02   0.02
    10   8    -0.04   0.15   0.04     0.13  -0.17  -0.11    -0.14   0.11   0.04
    11   1    -0.20  -0.12  -0.10    -0.43  -0.07  -0.12     0.47  -0.04  -0.07
    12   1     0.20   0.12  -0.10    -0.43  -0.07   0.12    -0.47   0.04  -0.07
    13   1     0.37   0.09  -0.12    -0.17  -0.06   0.15     0.01  -0.01  -0.22
    14   1    -0.37  -0.09  -0.12    -0.17  -0.06  -0.15    -0.01   0.01  -0.22
    15   1    -0.11  -0.08  -0.15     0.08  -0.17  -0.06    -0.05   0.18   0.13
    16   1     0.11   0.08  -0.15     0.08  -0.17   0.06     0.05  -0.18   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    825.3659               832.5993               951.4980
 Red. masses --      1.0668                 1.0520                 5.9019
 Frc consts  --      0.4282                 0.4297                 3.1482
 IR Inten    --      5.9392               145.2044                44.2832
 RamAct Fr= 1--      0.7401                 0.1068                 0.2100
  Dep-P Fr= 1--      0.7500                 0.0961                 0.7500
  Dep-U Fr= 1--      0.8571                 0.1754                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0000
 Beta2  Fr= 1--      0.1057                 0.0031                 0.0300
 AlphaG Fr= 1--     -0.0000                -0.0196                -0.0000
 Gamma2 Fr= 1--      0.2862                 0.1373                 0.3371
 Delta2 Fr= 1--     -0.0567                 0.0378                 0.0259
 Raman1 Fr= 1--       2.961                  0.427                  0.840
 ROA1   Fr= 1--      25.662                 14.390                 33.186
 CID1   Fr= 1--       8.668                 33.700                 39.515
 Raman2 Fr= 1--       1.269                  0.037                  0.360
 ROA2   Fr= 1--       7.323                  2.993                  7.883
 CID2   Fr= 1--       5.771                 79.937                 21.900
 Raman3 Fr= 1--       2.538                  0.075                  0.720
 ROA3   Fr= 1--      25.662                 14.390                 33.186
 CID3   Fr= 1--      10.112                192.149                 46.101
 RC180  Fr= 1--       0.714                 -0.649                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.19  -0.05   0.21
     2   8     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01   0.08  -0.03
     3   8    -0.02  -0.01   0.02     0.02   0.01  -0.02     0.10  -0.04   0.02
     4   6     0.00   0.00   0.01     0.00   0.00   0.00     0.04   0.00  -0.33
     5   6     0.00   0.00  -0.01    -0.00  -0.00   0.00     0.04   0.00   0.33
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.19  -0.05  -0.21
     7   8     0.01   0.01   0.01     0.00   0.00  -0.00     0.01   0.08   0.03
     8   8     0.00  -0.00   0.03    -0.00   0.00  -0.03     0.01  -0.02   0.03
     9   8     0.00  -0.00  -0.03     0.00  -0.00  -0.03     0.01  -0.02  -0.03
    10   8    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02     0.10  -0.04  -0.02
    11   1    -0.00   0.02   0.01     0.02   0.00   0.01    -0.18   0.06  -0.40
    12   1    -0.00   0.02  -0.01    -0.02  -0.00   0.01    -0.18   0.06   0.40
    13   1     0.37   0.16   0.34     0.36   0.16   0.33    -0.01  -0.00   0.07
    14   1     0.36   0.15  -0.34    -0.36  -0.16   0.34    -0.01  -0.00  -0.07
    15   1    -0.27  -0.08  -0.38     0.27   0.07   0.39    -0.16   0.24   0.04
    16   1    -0.27  -0.08   0.39    -0.27  -0.07   0.39    -0.16   0.24  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1061.4013              1099.3324              1116.3428
 Red. masses --      3.2926                 7.1915                 2.6612
 Frc consts  --      2.1855                 5.1207                 1.9540
 IR Inten    --     15.4596               148.7553                 1.3768
 RamAct Fr= 1--      2.0296                 0.1000                 3.6107
  Dep-P Fr= 1--      0.6542                 0.7500                 0.5154
  Dep-U Fr= 1--      0.7909                 0.8571                 0.6802
 Alpha2 Fr= 1--      0.0035                 0.0000                 0.0166
 Beta2  Fr= 1--      0.2675                 0.0143                 0.4093
 AlphaG Fr= 1--      0.0179                 0.0000                -0.0077
 Gamma2 Fr= 1--     -0.2277                 0.0627                 0.1192
 Delta2 Fr= 1--      0.2342                 0.0979                 0.9234
 Raman1 Fr= 1--       8.118                  0.400                 14.443
 ROA1   Fr= 1--     -14.364                  9.150                 40.993
 CID1   Fr= 1--      -1.769                 22.879                  2.838
 Raman2 Fr= 1--       3.211                  0.171                  4.912
 ROA2   Fr= 1--      -7.338                  0.721                 -4.526
 CID2   Fr= 1--      -2.286                  4.209                 -0.921
 Raman3 Fr= 1--       6.421                  0.343                  9.824
 ROA3   Fr= 1--     -14.364                  9.150                 40.993
 CID3   Fr= 1--      -2.237                 26.692                  4.173
 RC180  Fr= 1--       0.582                  0.714                  0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.02     0.03  -0.03   0.01    -0.02  -0.02   0.03
     2   8     0.02  -0.05  -0.01     0.01  -0.05  -0.02     0.00  -0.01  -0.01
     3   8    -0.07   0.06  -0.05    -0.00   0.04   0.01     0.02   0.01   0.02
     4   6     0.25   0.10   0.06    -0.10   0.39   0.01    -0.09   0.19  -0.04
     5   6    -0.25  -0.10   0.06    -0.10   0.39  -0.01     0.09  -0.19  -0.04
     6   6    -0.05   0.03   0.02     0.03  -0.03  -0.01     0.02   0.02   0.03
     7   8    -0.02   0.05  -0.01     0.01  -0.05   0.02    -0.00   0.01  -0.01
     8   8    -0.01  -0.07  -0.02     0.05  -0.28   0.00     0.02  -0.14   0.01
     9   8     0.01   0.07  -0.02     0.06  -0.29  -0.00    -0.02   0.13   0.01
    10   8     0.07  -0.06  -0.05    -0.00   0.04  -0.01    -0.02  -0.01   0.02
    11   1     0.36   0.27   0.20    -0.04   0.44   0.07    -0.51   0.36  -0.15
    12   1    -0.36  -0.27   0.20    -0.04   0.44  -0.07     0.51  -0.36  -0.15
    13   1     0.02  -0.06  -0.06    -0.07   0.07   0.10     0.02  -0.02  -0.02
    14   1    -0.02   0.06  -0.06    -0.07   0.07  -0.10    -0.02   0.02  -0.02
    15   1    -0.20   0.32   0.08    -0.05   0.07   0.17    -0.07   0.09   0.09
    16   1     0.20  -0.32   0.08    -0.05   0.07  -0.17     0.07  -0.09   0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1229.7973              1234.4758              1263.7074
 Red. masses --      2.1232                 1.9832                 1.5577
 Frc consts  --      1.8919                 1.7807                 1.4656
 IR Inten    --     16.9145                 0.5649                 0.0004
 RamAct Fr= 1--      1.0491                18.2503                 2.6340
  Dep-P Fr= 1--      0.7500                 0.2139                 0.7207
  Dep-U Fr= 1--      0.8571                 0.3524                 0.8377
 Alpha2 Fr= 1--      0.0000                 0.2388                 0.0013
 Beta2  Fr= 1--      0.1499                 1.0719                 0.3678
 AlphaG Fr= 1--     -0.0000                -0.0209                 0.0090
 Gamma2 Fr= 1--     -1.5125                 6.1894                -0.3882
 Delta2 Fr= 1--     -2.1428                 3.3706                -1.8110
 Raman1 Fr= 1--       4.196                 73.001                 10.536
 ROA1   Fr= 1--    -213.774                702.038                -95.224
 CID1   Fr= 1--     -50.943                  9.617                 -9.038
 Raman2 Fr= 1--       1.798                 12.863                  4.413
 ROA2   Fr= 1--     -19.158                121.580                  5.171
 CID2   Fr= 1--     -10.653                  9.452                  1.172
 Raman3 Fr= 1--       3.597                 25.726                  8.826
 ROA3   Fr= 1--    -213.774                702.038                -95.224
 CID3   Fr= 1--     -59.434                 27.289                -10.789
 RC180  Fr= 1--       0.714                 -0.295                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.03  -0.13     0.11  -0.02   0.09    -0.01  -0.03   0.06
     2   8    -0.01   0.07   0.03     0.01  -0.07  -0.02     0.01   0.01  -0.00
     3   8     0.04  -0.08   0.01    -0.03   0.07   0.01    -0.01   0.02  -0.02
     4   6     0.00   0.02   0.02    -0.07   0.01  -0.03     0.10  -0.09  -0.00
     5   6     0.00   0.02  -0.02     0.07  -0.01  -0.03    -0.10   0.09  -0.00
     6   6    -0.11   0.03   0.13    -0.11   0.02   0.09     0.01   0.03   0.06
     7   8    -0.01   0.07  -0.03    -0.01   0.07  -0.02    -0.01  -0.01  -0.00
     8   8     0.02  -0.02  -0.00    -0.00   0.01  -0.00     0.00   0.03  -0.01
     9   8     0.02  -0.02   0.00     0.00  -0.01  -0.00    -0.00  -0.03  -0.01
    10   8     0.04  -0.08  -0.01     0.03  -0.07   0.01     0.01  -0.02  -0.02
    11   1     0.09   0.13   0.11     0.14  -0.15  -0.00    -0.58  -0.04  -0.29
    12   1     0.09   0.13  -0.11    -0.14   0.15  -0.00     0.58   0.04  -0.29
    13   1     0.44  -0.23  -0.38     0.44  -0.23  -0.39     0.11  -0.04  -0.07
    14   1     0.44  -0.23   0.38    -0.44   0.23  -0.39    -0.11   0.04  -0.07
    15   1    -0.07   0.13   0.02     0.07  -0.09   0.00    -0.07   0.15   0.03
    16   1    -0.07   0.13  -0.02    -0.07   0.09   0.00     0.07  -0.15   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.7484              1331.8815              1350.0539
 Red. masses --      1.1639                 1.4539                 1.3906
 Frc consts  --      1.1178                 1.5196                 1.4933
 IR Inten    --     35.6060                 0.0000               272.4235
 RamAct Fr= 1--      2.0974                 4.2913                 0.1044
  Dep-P Fr= 1--      0.7500                 0.7436                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8530                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.2996                 0.6101                 0.0149
 AlphaG Fr= 1--     -0.0000                 0.0051                 0.0000
 Gamma2 Fr= 1--      1.3553                 0.2674                -0.3547
 Delta2 Fr= 1--      0.9038                 0.8403                -0.0655
 Raman1 Fr= 1--       8.390                 17.165                  0.418
 ROA1   Fr= 1--     159.027                 52.557                -36.147
 CID1   Fr= 1--      18.955                  3.062                -86.549
 Raman2 Fr= 1--       3.596                  7.321                  0.179
 ROA2   Fr= 1--      25.295                 -0.305                 -7.988
 CID2   Fr= 1--       7.035                 -0.042                -44.628
 Raman3 Fr= 1--       7.191                 14.641                  0.358
 ROA3   Fr= 1--     159.027                 52.557                -36.147
 CID3   Fr= 1--      22.114                  3.590               -100.973
 RC180  Fr= 1--       0.714                  0.706                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.03  -0.00  -0.01    -0.03   0.02  -0.06
     2   8    -0.00  -0.01  -0.00    -0.00   0.01   0.01     0.01  -0.01   0.01
     3   8    -0.01   0.01  -0.01    -0.00   0.00   0.00     0.04  -0.00   0.04
     4   6     0.03  -0.07   0.02    -0.06  -0.12  -0.04    -0.05  -0.04  -0.05
     5   6     0.03  -0.07  -0.02     0.06   0.12  -0.04    -0.05  -0.04   0.05
     6   6     0.02   0.01  -0.01    -0.03   0.00  -0.01    -0.03   0.02   0.06
     7   8    -0.00  -0.01   0.00     0.00  -0.01   0.01     0.01  -0.01  -0.01
     8   8     0.01  -0.01   0.00     0.02  -0.00   0.00     0.01   0.00   0.00
     9   8     0.01  -0.01  -0.00    -0.02   0.00   0.00     0.01   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.00  -0.00   0.00     0.04  -0.00  -0.04
    11   1    -0.33   0.51   0.12     0.00   0.55   0.29     0.45   0.18   0.28
    12   1    -0.33   0.51  -0.12    -0.00  -0.55   0.29     0.45   0.18  -0.28
    13   1    -0.03   0.02   0.02     0.06  -0.03  -0.06    -0.28   0.13   0.25
    14   1    -0.03   0.02  -0.02    -0.06   0.03  -0.06    -0.28   0.13  -0.25
    15   1    -0.14   0.29   0.08    -0.13   0.26   0.07    -0.04   0.08   0.02
    16   1    -0.14   0.29  -0.08     0.13  -0.26   0.07    -0.04   0.08  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1395.0249              1400.8768              1464.7035
 Red. masses --      1.9049                 2.2973                 1.2431
 Frc consts  --      2.1841                 2.6562                 1.5713
 IR Inten    --    575.6193               231.6057                63.2067
 RamAct Fr= 1--      0.2747                 1.3851                 4.2438
  Dep-P Fr= 1--      0.7500                 0.5864                 0.7499
  Dep-U Fr= 1--      0.8571                 0.7392                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0042                 0.0000
 Beta2  Fr= 1--      0.0392                 0.1707                 0.6062
 AlphaG Fr= 1--      0.0000                 0.0159                -0.0000
 Gamma2 Fr= 1--      0.2786                -1.5649                -2.7207
 Delta2 Fr= 1--      0.0346                -0.2438                -0.9127
 Raman1 Fr= 1--       1.099                  5.541                 16.975
 ROA1   Fr= 1--      27.849               -158.032               -290.390
 CID1   Fr= 1--      25.344                -28.523                -17.107
 Raman2 Fr= 1--       0.471                  2.048                  7.275
 ROA2   Fr= 1--       6.408                -35.607                -57.994
 CID2   Fr= 1--      13.607                -17.387                 -7.972
 Raman3 Fr= 1--       0.942                  4.096                 14.550
 ROA3   Fr= 1--      27.849               -158.032               -290.390
 CID3   Fr= 1--      29.568                -38.583                -19.958
 RC180  Fr= 1--       0.714                  0.478                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02   0.07    -0.13   0.04  -0.12     0.04   0.00   0.04
     2   8    -0.02   0.03  -0.00     0.02  -0.03   0.01    -0.01  -0.01  -0.01
     3   8    -0.06   0.01  -0.05     0.08  -0.01   0.08    -0.02   0.01  -0.02
     4   6    -0.05  -0.02  -0.09     0.07   0.00   0.03    -0.06  -0.01   0.01
     5   6    -0.05  -0.02   0.09    -0.07  -0.00   0.03    -0.06  -0.01  -0.01
     6   6     0.11  -0.02  -0.07     0.13  -0.04  -0.12     0.04   0.00  -0.03
     7   8    -0.02   0.03   0.00    -0.02   0.03   0.01    -0.01  -0.01   0.01
     8   8    -0.01   0.00   0.02    -0.02  -0.00   0.01     0.04  -0.00  -0.03
     9   8    -0.01   0.00  -0.02     0.02   0.00   0.00     0.04  -0.00   0.03
    10   8    -0.06   0.01   0.05    -0.08   0.01   0.08    -0.02   0.01   0.02
    11   1     0.33   0.28   0.22    -0.02   0.13   0.04     0.16  -0.30  -0.01
    12   1     0.33   0.28  -0.22     0.02  -0.13   0.04     0.17  -0.31   0.01
    13   1     0.30  -0.13  -0.27     0.45  -0.20  -0.40     0.08  -0.03  -0.06
    14   1     0.30  -0.13   0.27    -0.45   0.20  -0.40     0.08  -0.03   0.06
    15   1     0.11  -0.20  -0.01     0.05  -0.14  -0.03    -0.26   0.53   0.05
    16   1     0.11  -0.20   0.01    -0.05   0.14  -0.03    -0.27   0.54  -0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1467.7897              1796.1372              1806.3201
 Red. masses --      1.2471                 8.9196                 8.8299
 Frc consts  --      1.5830                16.9542                16.9744
 IR Inten    --      0.1891                29.7083               422.7918
 RamAct Fr= 1--      3.7563                24.5194                 2.2826
  Dep-P Fr= 1--      0.4243                 0.0994                 0.7500
  Dep-U Fr= 1--      0.5958                 0.1808                 0.8571
 Alpha2 Fr= 1--      0.0255                 0.4299                 0.0000
 Beta2  Fr= 1--      0.3730                 0.7390                 0.3261
 AlphaG Fr= 1--     -0.0181                -0.3565                -0.0000
 Gamma2 Fr= 1--     -1.0039                -4.2980                 2.4645
 Delta2 Fr= 1--      0.4289                -2.5906                 2.9191
 Raman1 Fr= 1--      15.025                 98.078                  9.130
 ROA1   Fr= 1--     -82.648               -495.503                329.999
 CID1   Fr= 1--      -5.501                 -5.052                 36.143
 Raman2 Fr= 1--       4.476                  8.868                  3.913
 ROA2   Fr= 1--     -27.524                -82.426                 35.794
 CID2   Fr= 1--      -6.149                 -9.295                  9.147
 Raman3 Fr= 1--       8.952                 17.736                  7.826
 ROA3   Fr= 1--     -82.648               -495.503                329.999
 CID3   Fr= 1--      -9.232                -27.938                 42.167
 RC180  Fr= 1--       0.192                 -0.638                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.09  -0.46  -0.14    -0.10   0.46   0.13
     2   8     0.01   0.01   0.01    -0.05   0.27   0.09     0.05  -0.27  -0.09
     3   8     0.02  -0.00   0.02     0.00   0.04   0.02     0.00  -0.05  -0.02
     4   6    -0.05   0.01   0.04     0.00   0.05   0.01    -0.00  -0.00  -0.03
     5   6     0.05  -0.01   0.04    -0.00  -0.05   0.01    -0.00  -0.00   0.03
     6   6     0.03   0.00  -0.03    -0.09   0.46  -0.14    -0.10   0.46  -0.13
     7   8    -0.01  -0.01   0.01     0.05  -0.27   0.09     0.05  -0.27   0.09
     8   8     0.04  -0.01  -0.03    -0.00   0.01   0.00    -0.00  -0.01   0.00
     9   8    -0.04   0.01  -0.03     0.00  -0.01   0.00    -0.00  -0.01  -0.00
    10   8    -0.02   0.00   0.02    -0.00  -0.04   0.02     0.00  -0.05   0.02
    11   1     0.08  -0.34  -0.05     0.06  -0.05  -0.02     0.07   0.04   0.02
    12   1    -0.08   0.34  -0.05    -0.06   0.05  -0.02     0.07   0.04  -0.02
    13   1     0.06  -0.03  -0.06     0.24  -0.09  -0.24     0.27  -0.10  -0.23
    14   1    -0.06   0.02  -0.06    -0.24   0.09  -0.24     0.27  -0.10   0.23
    15   1    -0.26   0.54   0.07     0.05  -0.21   0.01     0.03  -0.18  -0.02
    16   1     0.26  -0.53   0.06    -0.05   0.21   0.01     0.03  -0.18   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3048.6905              3056.0142              3493.6054
 Red. masses --      1.0833                 1.0845                 1.0667
 Frc consts  --      5.9325                 5.9677                 7.6709
 IR Inten    --     17.9182                 2.3303                95.0628
 RamAct Fr= 1--     46.5469               163.8738               111.3137
  Dep-P Fr= 1--      0.7500                 0.0980                 0.0419
  Dep-U Fr= 1--      0.8571                 0.1786                 0.0804
 Alpha2 Fr= 1--      0.0000                 2.8830                 2.2416
 Beta2  Fr= 1--      6.6495                 4.8769                 1.4915
 AlphaG Fr= 1--     -0.0000                -0.4415                 1.1983
 Gamma2 Fr= 1--      3.0779                -8.8335                44.4176
 Delta2 Fr= 1--      6.8941                -6.0424                11.2514
 Raman1 Fr= 1--     186.187                655.495                445.255
 ROA1   Fr= 1--     516.086              -1041.373               4624.131
 CID1   Fr= 1--       2.772                 -1.589                 10.385
 Raman2 Fr= 1--      79.794                 58.522                 17.898
 ROA2   Fr= 1--      18.716               -163.664                976.011
 CID2   Fr= 1--       0.235                 -2.797                 54.531
 Raman3 Fr= 1--     159.589                117.045                 35.796
 ROA3   Fr= 1--     516.086              -1041.373               4624.131
 CID3   Fr= 1--       3.234                 -8.897                129.179
 RC180  Fr= 1--       0.714                 -0.643                 -0.839
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     2   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
     4   6     0.02   0.02  -0.05     0.02   0.02  -0.05    -0.00  -0.00   0.00
     5   6     0.02   0.02   0.05    -0.02  -0.02  -0.05     0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.03  -0.02   0.02
     9   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.03   0.02   0.02
    10   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
    11   1    -0.27  -0.27   0.59    -0.27  -0.27   0.59     0.01   0.01  -0.01
    12   1    -0.27  -0.27  -0.59     0.27   0.27   0.59    -0.01  -0.01  -0.01
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.13   0.05
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.13   0.05
    15   1     0.02   0.00  -0.01     0.01   0.00  -0.02     0.48   0.34  -0.37
    16   1     0.02   0.00   0.01    -0.01  -0.01  -0.02    -0.47  -0.33  -0.37
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3503.5680              3578.6925              3580.9456
 Red. masses --      1.0673                 1.0641                 1.0642
 Frc consts  --      7.7190                 8.0292                 8.0404
 IR Inten    --    494.0138               228.0157                86.2749
 RamAct Fr= 1--     13.4317                 8.6123                58.2965
  Dep-P Fr= 1--      0.7494                 0.7498                 0.0892
  Dep-U Fr= 1--      0.8568                 0.8570                 0.1637
 Alpha2 Fr= 1--      0.0001                 0.0000                 1.0480
 Beta2  Fr= 1--      1.9180                 1.2302                 1.5906
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0816
 Gamma2 Fr= 1--    -33.3669                 4.3619                -0.0956
 Delta2 Fr= 1--     -6.6922                 1.8902                -4.6334
 Raman1 Fr= 1--      53.727                 34.449                233.186
 ROA1   Fr= 1--   -3417.376                479.231               -157.448
 CID1   Fr= 1--     -63.606                 13.911                 -0.675
 Raman2 Fr= 1--      23.016                 14.762                 19.088
 ROA2   Fr= 1--    -747.269                 89.564                 34.772
 CID2   Fr= 1--     -32.467                  6.067                  1.822
 Raman3 Fr= 1--      46.032                 29.524                 38.175
 ROA3   Fr= 1--   -3417.376                479.231               -157.448
 CID3   Fr= 1--     -74.239                 16.232                 -4.124
 RC180  Fr= 1--       0.714                  0.714                 -0.673
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   8     0.00  -0.00  -0.00    -0.00  -0.04  -0.02     0.00   0.04   0.02
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.03  -0.02   0.02     0.00   0.00  -0.00    -0.01  -0.00   0.00
     9   8    -0.03  -0.02  -0.02     0.00   0.00   0.00     0.01   0.00   0.00
    10   8     0.00  -0.00   0.00    -0.00  -0.04   0.02    -0.00  -0.04   0.02
    11   1     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1     0.01   0.01   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00   0.05  -0.02    -0.01   0.64  -0.28    -0.01   0.64  -0.28
    14   1    -0.00   0.05   0.02    -0.01   0.65   0.28     0.01  -0.63  -0.28
    15   1     0.49   0.33  -0.37    -0.04  -0.03   0.03     0.10   0.07  -0.08
    16   1     0.49   0.34   0.38    -0.04  -0.02  -0.03    -0.10  -0.07  -0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   987.111891545.354791868.90457
           X            0.99932  -0.03687  -0.00000
           Y            0.03687   0.99932  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08774     0.05605     0.04634
 Rotational constants (GHZ):           1.82830     1.16785     0.96567
 Zero-point vibrational energy     307027.7 (Joules/Mol)
                                   73.38139 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     86.54   115.52   141.76   339.09   371.26
          (Kelvin)            450.55   455.83   552.10   627.36   753.84
                              777.42   847.05   886.32   970.28   985.00
                             1052.71  1160.68  1174.96  1187.52  1197.92
                             1368.99  1527.12  1581.69  1606.17  1769.40
                             1776.14  1818.19  1836.96  1916.28  1942.43
                             2007.13  2015.55  2107.38  2111.82  2584.24
                             2598.89  4386.39  4396.92  5026.52  5040.85
                             5148.94  5152.18
 
 Zero-point correction=                           0.116941 (Hartree/Particle)
 Thermal correction to Energy=                    0.126064
 Thermal correction to Enthalpy=                  0.127008
 Thermal correction to Gibbs Free Energy=         0.082088
 Sum of electronic and zero-point Energies=           -607.578178
 Sum of electronic and thermal Energies=              -607.569055
 Sum of electronic and thermal Enthalpies=            -607.568111
 Sum of electronic and thermal Free Energies=         -607.613031
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   79.106             33.643             94.542
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.435
 Vibrational             77.329             27.681             24.180
 Vibration     1          0.597              1.973              4.452
 Vibration     2          0.600              1.963              3.884
 Vibration     3          0.604              1.950              3.483
 Vibration     4          0.655              1.786              1.835
 Vibration     5          0.667              1.749              1.675
 Vibration     6          0.701              1.649              1.346
 Vibration     7          0.704              1.641              1.326
 Vibration     8          0.753              1.505              1.024
 Vibration     9          0.796              1.392              0.839
 Vibration    10          0.879              1.197              0.601
 Vibration    11          0.895              1.161              0.565
 Vibration    12          0.946              1.056              0.469
 Vibration    13          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.174628D-37        -37.757887        -86.940748
 Total V=0       0.107411D+17         16.031048         36.912853
 Vib (Bot)       0.400050D-51        -51.397886       -118.348005
 Vib (Bot)    1  0.343317D+01          0.535695          1.233483
 Vib (Bot)    2  0.256496D+01          0.409081          0.941944
 Vib (Bot)    3  0.208355D+01          0.318804          0.734072
 Vib (Bot)    4  0.833602D+00         -0.079041         -0.181999
 Vib (Bot)    5  0.753453D+00         -0.122944         -0.283089
 Vib (Bot)    6  0.602732D+00         -0.219875         -0.506282
 Vib (Bot)    7  0.594463D+00         -0.225875         -0.520097
 Vib (Bot)    8  0.469953D+00         -0.327946         -0.755123
 Vib (Bot)    9  0.397704D+00         -0.400440         -0.922046
 Vib (Bot)   10  0.306955D+00         -0.512925         -1.181054
 Vib (Bot)   11  0.293124D+00         -0.532948         -1.227158
 Vib (Bot)   12  0.256568D+00         -0.590798         -1.360362
 Vib (Bot)   13  0.238389D+00         -0.622714         -1.433853
 Vib (V=0)       0.246065D+03          2.391050          5.505596
 Vib (V=0)    1  0.396938D+01          0.598723          1.378611
 Vib (V=0)    2  0.311324D+01          0.493213          1.135665
 Vib (V=0)    3  0.264270D+01          0.422048          0.971802
 Vib (V=0)    4  0.147206D+01          0.167924          0.386660
 Vib (V=0)    5  0.140426D+01          0.147448          0.339512
 Vib (V=0)    6  0.128313D+01          0.108269          0.249299
 Vib (V=0)    7  0.127678D+01          0.106116          0.244341
 Vib (V=0)    8  0.118619D+01          0.074154          0.170746
 Vib (V=0)    9  0.113888D+01          0.056478          0.130046
 Vib (V=0)   10  0.108670D+01          0.036111          0.083149
 Vib (V=0)   11  0.107959D+01          0.033258          0.076579
 Vib (V=0)   12  0.106198D+01          0.026118          0.060140
 Vib (V=0)   13  0.105392D+01          0.022808          0.052518
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.604417D+06          5.781336         13.312019
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33 33             33                                           11          1111111111   111                                     
     55 54             00                                           87          4443332222   100   9 8888  766 6555  4 333 22        
     87 09             54                                           09          6609537633   196   5 3210  387 1842  3 811 53   986  
     19 44             69                                           66          8515027440   691   1 3577  254 6904  6 473 86   900  
 
     XX XX             XX                                           XX          XXXXX X XX   XXX   X XXXX  XXX XXXX  X XXX XX   XXX  
     XX XX                                                          X            XXXX         X    X X      X              X         
     XX XX                                                          X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX         X      X      X                        
      X X                                                           X             XXX                       X                        
      X X                                                           X             XXX                                                
      X X                                                           X             XXX                                                
        X                                                           X              XX                                                
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                           X              X                                                 
        X                                                                          X                                                 
        X                                                                          X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000011927    0.000008036   -0.000000449
      2        8           0.000000843   -0.000010721    0.000004190
      3        8          -0.000000785   -0.000000837    0.000001173
      4        6          -0.000003677   -0.000003648   -0.000004793
      5        6          -0.000006845   -0.000016616    0.000005352
      6        6           0.000004306    0.000000083   -0.000001205
      7        8          -0.000005931    0.000008061   -0.000000754
      8        8           0.000003501    0.000000616    0.000003380
      9        8          -0.000004346    0.000000887    0.000006984
     10        8           0.000000503    0.000000039   -0.000002243
     11        1          -0.000001790   -0.000003411   -0.000002441
     12        1           0.000004758    0.000007190   -0.000004825
     13        1           0.000000702    0.000002931    0.000000283
     14        1          -0.000002836   -0.000002321   -0.000001089
     15        1          -0.000001578    0.000004136    0.000000919
     16        1           0.000001250    0.000005574   -0.000004482
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016616 RMS     0.000004954
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.741302D+02 -0.605157D+01 -0.251854D-03
      2  -0.605157D+01  0.781047D+02  0.197832D-03
      3  -0.251854D-03  0.197832D-03  0.628965D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.874036D+01  0.490565D+01  0.113190D-03
      2  -0.267376D+02 -0.981397D+01 -0.673072D-03
      3   0.262160D-03  0.212251D-04  0.142831D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.433711D-02  0.196829D-02 -0.415626D+02
      2   0.253864D-02 -0.716623D-03 -0.121174D+01
      3   0.179847D-02 -0.125166D-02  0.427743D+02
      4   0.208053D-03  0.135348D-02 -0.135327D+02
      5  -0.192172D+02 -0.361291D+01  0.454232D-03
      6  -0.799681D+00  0.159996D+01 -0.181967D-02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.899104D-01 -0.137670D+01  0.255568D+00  0.138547D+01 -0.984080D+00
      2  -0.137670D+01 -0.848590D+00 -0.100359D+01 -0.984080D+00  0.536978D+01
      3   0.255568D+00 -0.100359D+01 -0.918763D+00  0.113178D+00  0.120973D+01
                 6             7             8             9            10 
      1   0.113178D+00  0.171957D+01 -0.169760D+01 -0.281065D-01  0.159257D+01
      2   0.120973D+01 -0.169760D+01  0.147839D+01 -0.752532D+00 -0.240905D+01
      3   0.642721D+00 -0.281065D-01 -0.752532D+00 -0.366195D-01 -0.548424D+00
                11            12            13            14            15 
      1  -0.240905D+01 -0.548424D+00 -0.455661D+01  0.236954D+00 -0.122812D+01
      2  -0.224832D+00  0.678958D-02  0.236954D+00 -0.112970D+02 -0.204371D+01
      3   0.678958D-02  0.809767D+00 -0.122812D+01 -0.204371D+01 -0.314467D+01
                16            17            18            19            20 
      1  -0.125776D+01  0.294353D+00 -0.838441D-01 -0.579049D+01  0.154868D+01
      2   0.294353D+00 -0.274182D+01 -0.285476D+01  0.154868D+01 -0.838357D+00
      3  -0.838441D-01 -0.285476D+01 -0.251067D+01 -0.189084D+01  0.476503D+00
                21            22            23            24            25 
      1  -0.189084D+01 -0.734272D+00 -0.102461D+01 -0.451483D+00 -0.321881D+01
      2   0.476503D+00 -0.102461D+01 -0.182749D+01 -0.212588D+01  0.843150D+00
      3  -0.111404D+01 -0.451483D+00 -0.212588D+01 -0.616491D+00 -0.301440D+01
                26            27            28            29            30 
      1   0.843150D+00 -0.301440D+01 -0.457592D+01  0.164183D+01 -0.136567D+00
      2  -0.235866D+01  0.942833D+00  0.164183D+01  0.120997D+01  0.602328D-01
      3   0.942833D+00 -0.351509D+01 -0.136567D+00  0.602328D-01  0.237428D+01
                31            32            33            34            35 
      1   0.256776D+01  0.215780D+01 -0.752441D+00 -0.592854D+00  0.143048D+00
      2   0.215780D+01 -0.274198D+01 -0.847038D+00  0.143048D+00 -0.502027D+00
      3  -0.752441D+00 -0.847038D+00  0.347435D+01  0.223944D+01  0.204588D+01
                36            37            38            39            40 
      1   0.223944D+01  0.457652D+01 -0.164143D+01 -0.137411D+00 -0.256698D+01
      2   0.204588D+01 -0.164143D+01 -0.121001D+01  0.600252D-01 -0.215767D+01
      3  -0.273780D+01 -0.137411D+00  0.600252D-01 -0.237389D+01 -0.752454D+00
                41            42            43            44            45 
      1  -0.215767D+01 -0.752454D+00 -0.593451D+00  0.142701D+00 -0.223874D+01
      2   0.274256D+01 -0.847528D+00  0.142701D+00 -0.502564D+00 -0.204541D+01
      3  -0.847528D+00 -0.347387D+01 -0.223874D+01 -0.204541D+01 -0.273835D+01
                46            47            48            49            50 
      1  -0.907691D-01  0.137646D+01  0.255931D+00 -0.138631D+01  0.983489D+00
      2   0.137646D+01  0.847855D+00 -0.100329D+01  0.983489D+00 -0.537049D+01
      3   0.255931D+00 -0.100329D+01  0.918089D+00  0.113515D+00  0.120999D+01
                51            52            53            54            55 
      1   0.113515D+00  0.171976D+01 -0.169719D+01  0.275409D-01 -0.159209D+01
      2   0.120999D+01 -0.169719D+01  0.147811D+01  0.752325D+00  0.240914D+01
      3  -0.642955D+00  0.275409D-01  0.752325D+00 -0.364768D-01 -0.548356D+00
                56            57            58            59            60 
      1   0.240914D+01 -0.548356D+00  0.455707D+01 -0.236479D+00 -0.122831D+01
      2   0.225387D+00  0.667596D-02 -0.236479D+00  0.112974D+02 -0.204369D+01
      3   0.667596D-02 -0.809513D+00 -0.122831D+01 -0.204369D+01  0.314484D+01
                61            62            63            64            65 
      1  -0.125749D+01  0.294300D+00  0.839980D-01 -0.427037D+01  0.151627D+01
      2   0.294300D+00 -0.274136D+01  0.285464D+01  0.151627D+01 -0.205925D+01
      3   0.839980D-01  0.285464D+01 -0.251032D+01  0.174665D+01 -0.225383D+00
                66            67            68            69            70 
      1   0.174665D+01 -0.703597D+00 -0.233372D+01  0.103302D+01  0.296260D+01
      2  -0.225383D+00 -0.233372D+01  0.603531D+01  0.195646D+01 -0.620017D-01
      3  -0.193224D+01  0.103302D+01  0.195646D+01 -0.939955D-01 -0.192383D+01
                71            72            73            74            75 
      1  -0.620017D-01 -0.192383D+01  0.427046D+01 -0.151612D+01  0.174664D+01
      2   0.207933D+01  0.159754D+01 -0.151612D+01  0.206014D+01 -0.225547D+00
      3   0.159754D+01  0.256424D+01  0.174664D+01 -0.225547D+00  0.193221D+01
                76            77            78            79            80 
      1   0.703727D+00  0.233411D+01  0.103290D+01  0.296176D+01 -0.619183D-01
      2   0.233411D+01 -0.603463D+01  0.195660D+01 -0.619183D-01  0.207948D+01
      3   0.103290D+01  0.195660D+01  0.939527D-01  0.192336D+01 -0.159761D+01
                81            82            83            84            85 
      1   0.192336D+01  0.579014D+01 -0.154869D+01 -0.189090D+01  0.734060D+00
      2  -0.159761D+01 -0.154869D+01  0.838414D+00  0.476442D+00  0.102448D+01
      3   0.256384D+01 -0.189090D+01  0.476442D+00  0.111417D+01 -0.451390D+00
                86            87            88            89            90 
      1   0.102448D+01 -0.451390D+00 -0.321865D+01  0.843126D+00  0.301438D+01
      2   0.182765D+01 -0.212586D+01  0.843126D+00 -0.235862D+01 -0.942900D+00
      3  -0.212586D+01  0.616436D+00  0.301438D+01 -0.942900D+00 -0.351538D+01
                91            92            93            94            95 
      1  -0.135558D+01 -0.867293D+00  0.196992D+01 -0.148488D+01 -0.107722D+01
      2  -0.867293D+00 -0.871727D+00  0.301814D+00 -0.107722D+01 -0.113416D+01
      3   0.196992D+01  0.301814D+00 -0.247412D+01  0.646267D+00  0.161490D+01
                96            97            98            99           100 
      1   0.646267D+00  0.234295D+01  0.505736D+00 -0.239935D+01  0.135536D+01
      2   0.161490D+01  0.505736D+00  0.169976D+01 -0.149525D+01  0.867275D+00
      3  -0.243957D+01 -0.239935D+01 -0.149525D+01  0.678980D+01  0.196995D+01
               101           102           103           104           105 
      1   0.867275D+00  0.196995D+01  0.148477D+01  0.107722D+01  0.646250D+00
      2   0.871733D+00  0.301828D+00  0.107722D+01  0.113416D+01  0.161489D+01
      3   0.301828D+00  0.247397D+01  0.646250D+00  0.161489D+01  0.243949D+01
               106           107           108           109           110 
      1   0.234298D+01  0.505768D+00  0.239915D+01  0.108737D+01 -0.943084D+00
      2   0.505768D+00  0.169990D+01  0.149524D+01 -0.943084D+00  0.760920D+00
      3   0.239915D+01  0.149524D+01  0.678974D+01  0.354116D+00  0.153165D+00
               111           112           113           114           115 
      1   0.354116D+00 -0.293085D+01  0.136866D+01  0.117246D+01  0.124459D+01
      2   0.153165D+00  0.136866D+01 -0.467804D+01  0.410828D+00 -0.184819D-01
      3   0.661357D-01  0.117246D+01  0.410828D+00 -0.191209D+01 -0.378066D+00
               116           117           118           119           120 
      1  -0.184819D-01 -0.378066D+00 -0.108730D+01  0.943082D+00  0.354229D+00
      2   0.108250D+01 -0.932504D+00  0.943082D+00 -0.760936D+00  0.153129D+00
      3  -0.932504D+00  0.502529D+00  0.354229D+00  0.153129D+00 -0.661457D-01
               121           122           123           124           125 
      1   0.293107D+01 -0.136859D+01  0.117245D+01  0.124482D+01 -0.184803D-01
      2  -0.136859D+01  0.467778D+01  0.410950D+00 -0.184803D-01  0.108257D+01
      3   0.117245D+01  0.410950D+00  0.191198D+01  0.378043D+00  0.932515D+00
               126           127           128           129           130 
      1   0.378043D+00  0.378844D+01  0.400634D+00 -0.175038D+01  0.186597D+01
      2   0.932515D+00  0.400634D+00  0.104275D+01  0.230588D+00  0.280825D+00
      3   0.502553D+00 -0.175038D+01  0.230588D+00  0.153154D+01 -0.532900D+00
               131           132           133           134           135 
      1   0.280825D+00 -0.532900D+00 -0.320052D+01 -0.820775D-02  0.118293D+01
      2   0.272962D+01 -0.175362D+00 -0.820775D-02 -0.737571D+00  0.470464D+00
      3  -0.175362D+00  0.121061D+01  0.118293D+01  0.470464D+00 -0.105634D+01
               136           137           138           139           140 
      1  -0.378826D+01 -0.401013D+00 -0.175013D+01 -0.186639D+01 -0.281166D+00
      2  -0.401013D+00 -0.104347D+01  0.230618D+00 -0.281166D+00 -0.273048D+01
      3  -0.175013D+01  0.230618D+00 -0.153146D+01 -0.532937D+00 -0.175280D+00
               141           142           143           144 
      1  -0.532937D+00 -0.319949D+01 -0.830599D-02 -0.118250D+01
      2  -0.175280D+00 -0.830599D-02 -0.737424D+00 -0.470465D+00
      3  -0.121074D+01 -0.118250D+01 -0.470465D+00 -0.105566D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.202816D+01 -0.327778D+01 -0.240795D+01 -0.405262D+01 -0.491404D+01
      2   0.103963D+02  0.589162D+01  0.609859D+01  0.640524D+01 -0.101849D+01
      3   0.305214D+01 -0.487723D+01 -0.295698D+01 -0.559010D+01  0.449767D+01
                 6             7             8             9            10 
      1   0.291559D+01  0.850236D+00  0.400706D+01  0.393368D+01  0.209358D+01
      2   0.192398D+01 -0.513813D+01  0.284977D+00 -0.999489D+01 -0.983066D+00
      3   0.310917D+01 -0.849959D+01  0.566164D+01 -0.274387D+01 -0.621298D+01
                11            12            13            14            15 
      1   0.460979D+00  0.758495D+00 -0.206983D+01  0.441523D+01 -0.101987D+02
      2  -0.216383D+01  0.304693D+00 -0.126707D+01  0.355211D+01  0.327928D+01
      3  -0.124498D+01  0.465156D+00  0.140710D+02 -0.170243D+02 -0.849641D+00
                16            17            18            19            20 
      1  -0.189848D+01  0.217491D+01 -0.444211D+01 -0.990354D-01  0.227586D+01
      2  -0.409673D+01  0.528794D+01  0.585157D+01 -0.154672D+01 -0.138473D+01
      3   0.507434D+01 -0.421880D+01 -0.399000D+01  0.105018D+01 -0.686713D+01
                21            22            23            24            25 
      1   0.201576D+01  0.215543D+01  0.502246D+01  0.132404D+01 -0.652702D+00
      2   0.494313D+01 -0.121582D+01  0.494396D+01  0.873485D+00  0.336145D+01
      3   0.303863D+00 -0.170925D+01 -0.773741D+01 -0.725758D+01 -0.148637D+00
                26            27            28            29            30 
      1   0.673900D+01  0.142152D+01  0.174994D+01  0.138156D+01 -0.348009D+00
      2   0.101379D+01  0.112856D+02  0.104908D+02 -0.446279D+00  0.141089D+01
      3  -0.952113D+01  0.110280D+01  0.108813D+01 -0.160355D+01 -0.231903D+00
                31            32            33            34            35 
      1   0.350559D+01 -0.371229D+01 -0.126598D+01  0.588050D+00  0.334249D+01
      2  -0.543890D+01 -0.174692D+01  0.124716D+01 -0.592012D+01 -0.308443D+00
      3   0.344648D+01 -0.167667D+01 -0.182450D+01 -0.287618D+00 -0.118172D+01
                36            37            38            39            40 
      1   0.217526D+01 -0.174927D+01 -0.138159D+01 -0.348119D+00 -0.350522D+01
      2   0.219008D+01 -0.104925D+02  0.445246D+00  0.141291D+01  0.543714D+01
      3   0.855451D+00  0.108719D+01 -0.160336D+01  0.232021D+00  0.344677D+01
                41            42            43            44            45 
      1   0.371383D+01 -0.126644D+01  0.587292D+00  0.334182D+01 -0.217441D+01
      2   0.174590D+01  0.124797D+01 -0.591814D+01 -0.306930D+00 -0.219248D+01
      3  -0.167787D+01  0.182497D+01  0.288194D+00  0.118216D+01  0.854453D+00
                46            47            48            49            50 
      1   0.202727D+01  0.327739D+01 -0.240628D+01  0.405206D+01  0.491262D+01
      2  -0.103951D+02 -0.588991D+01  0.609747D+01 -0.640231D+01  0.101960D+01
      3   0.305210D+01 -0.487641D+01  0.295624D+01 -0.559064D+01  0.449817D+01
                51            52            53            54            55 
      1   0.291606D+01  0.849835D+00  0.400725D+01 -0.393280D+01 -0.209338D+01
      2   0.192186D+01 -0.513849D+01  0.284328D+00  0.999566D+01  0.983892D+00
      3  -0.310937D+01  0.849753D+01 -0.566096D+01 -0.274295D+01 -0.621200D+01
                56            57            58            59            60 
      1  -0.461079D+00  0.757585D+00  0.206955D+01 -0.441510D+01 -0.101986D+02
      2   0.216353D+01  0.304869D+00  0.126581D+01 -0.355199D+01  0.328007D+01
      3  -0.124586D+01 -0.464976D+00  0.140708D+02 -0.170236D+02  0.849544D+00
                61            62            63            64            65 
      1  -0.189829D+01  0.217508D+01  0.444126D+01 -0.446086D+01 -0.289469D+01
      2  -0.409689D+01  0.528738D+01 -0.585056D+01  0.241162D+00 -0.224079D+01
      3  -0.507323D+01  0.421834D+01 -0.398978D+01 -0.128674D+02 -0.608940D+01
                66            67            68            69            70 
      1   0.542567D+01 -0.647443D+01  0.573221D+01 -0.175982D+01  0.531775D+01
      2   0.421256D+01 -0.433191D+00  0.775077D+00 -0.234876D+01 -0.241448D+01
      3   0.624742D+01 -0.190346D+00  0.400001D+01  0.605179D+01  0.993228D+01
                71            72            73            74            75 
      1   0.497582D+01 -0.413072D+01  0.446079D+01  0.289577D+01  0.542540D+01
      2  -0.145649D+01 -0.202489D+01 -0.242133D+00  0.224056D+01  0.421210D+01
      3   0.313559D+01 -0.319112D+01 -0.128677D+02 -0.609090D+01 -0.624668D+01
                76            77            78            79            80 
      1   0.647534D+01 -0.573167D+01 -0.175899D+01  0.531637D+01  0.497625D+01
      2   0.433409D+00 -0.775387D+00 -0.234877D+01 -0.241490D+01 -0.145649D+01
      3  -0.192718D+00  0.399905D+01 -0.605222D+01 -0.993018D+01 -0.313604D+01
                81            82            83            84            85 
      1   0.412935D+01  0.992911D-01 -0.227579D+01  0.201524D+01 -0.215494D+01
      2   0.202472D+01  0.154691D+01  0.138438D+01  0.494277D+01  0.121545D+01
      3  -0.318961D+01  0.104992D+01 -0.686706D+01 -0.303758D+00 -0.170781D+01
                86            87            88            89            90 
      1  -0.502268D+01  0.132444D+01 -0.652393D+00  0.673925D+01 -0.142186D+01
      2  -0.494406D+01  0.873852D+00  0.336070D+01  0.101364D+01 -0.112855D+02
      3  -0.773706D+01  0.725711D+01  0.148627D+00  0.952054D+01  0.110291D+01
                91            92            93            94            95 
      1  -0.957529D+00 -0.132108D+01  0.245829D-02 -0.133596D+01 -0.133548D+01
      2   0.152241D+00  0.543517D+00 -0.138448D+00  0.183344D+01  0.593096D-01
      3  -0.393401D+00 -0.176363D+01  0.213260D+00  0.257772D+00 -0.120093D+01
                96            97            98            99           100 
      1   0.116662D+01  0.166226D+00  0.348305D+01 -0.118314D+01  0.957453D+00
      2   0.594999D+00 -0.293825D+01  0.245395D+00 -0.212751D+01 -0.151812D+00
      3   0.180264D+01 -0.305737D+00  0.218510D+01 -0.623244D+00 -0.393158D+00
               101           102           103           104           105 
      1   0.132102D+01  0.232761D-02  0.133599D+01  0.133514D+01  0.116650D+01
      2  -0.543548D+00 -0.138589D+00 -0.183331D+01 -0.593496D-01  0.594927D+00
      3  -0.176349D+01 -0.213177D+00  0.257969D+00 -0.120060D+01 -0.180257D+01
               106           107           108           109           110 
      1   0.166234D+00  0.348298D+01  0.118260D+01  0.159379D+01  0.932893D+00
      2  -0.293828D+01  0.245187D+00  0.212797D+01 -0.156509D+00 -0.661274D+00
      3   0.305904D+00 -0.218523D+01 -0.622941D+00  0.279275D+01 -0.729251D+00
               111           112           113           114           115 
      1  -0.675909D+00  0.816252D+00  0.774909D+01 -0.408097D+01 -0.104747D+01
      2  -0.457910D-01  0.874395D+00  0.282940D+01 -0.502357D+01 -0.930524D+00
      3  -0.135848D+01  0.105555D+01  0.150948D+02 -0.424898D+01 -0.186863D+01
               116           117           118           119           120 
      1  -0.286442D+01  0.192147D+01 -0.159395D+01 -0.933161D+00 -0.675846D+00
      2  -0.336047D+01  0.332498D+01  0.156408D+00  0.661344D+00 -0.458300D-01
      3  -0.598998D+01  0.381654D+01  0.279305D+01 -0.728917D+00  0.135856D+01
               121           122           123           124           125 
      1  -0.816606D+00 -0.774843D+01 -0.408068D+01 -0.104737D+01 -0.286429D+01
      2  -0.874532D+00 -0.282942D+01 -0.502345D+01 -0.930611D+00 -0.336049D+01
      3   0.105631D+01  0.150949D+02  0.424952D+01  0.186910D+01  0.599069D+01
               126           127           128           129           130 
      1  -0.192114D+01  0.735174D+01  0.233787D+01 -0.477044D+01  0.341843D+01
      2  -0.332504D+01 -0.175356D+01  0.506058D+00 -0.106080D+01 -0.590339D+00
      3   0.381664D+01  0.130029D+02  0.364900D+01 -0.716042D+01  0.719067D+01
               131           132           133           134           135 
      1   0.214347D+01 -0.382649D+01 -0.483567D+01 -0.233194D+01  0.396826D+01
      2   0.624772D-01 -0.546502D+00 -0.455650D+00 -0.193652D+00  0.183431D+01
      3   0.253301D+01 -0.297842D+01 -0.105416D+02 -0.274817D+01  0.477294D+01
               136           137           138           139           140 
      1  -0.735167D+01 -0.233817D+01 -0.477039D+01 -0.341892D+01 -0.214446D+01
      2   0.175359D+01 -0.505788D+00 -0.106026D+01  0.590597D+00 -0.622109D-01
      3   0.130033D+02  0.364945D+01  0.715977D+01  0.719200D+01  0.253491D+01
               141           142           143           144 
      1  -0.382678D+01 -0.483451D+01 -0.233158D+01 -0.396713D+01
      2  -0.546541D+00 -0.455459D+00 -0.193706D+00 -0.183393D+01
      3   0.297841D+01  0.105392D+02  0.274797D+01  0.477177D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.615853D+01  0.441105D-01 -0.117648D+01  0.657722D+01  0.156953D+02
      2   0.345013D+01  0.101756D+01  0.411119D+01 -0.638665D+01 -0.241639D+02
      3   0.270841D+01 -0.106167D+01 -0.293471D+01 -0.190566D+00  0.846856D+01
      4   0.103411D+02  0.190027D+01  0.290325D+01 -0.100686D+02 -0.132442D+02
      5  -0.718256D+01  0.282042D+01 -0.234487D+00 -0.215389D+01 -0.302287D+01
      6  -0.860486D+00 -0.306115D+01  0.817092D+01 -0.461368D+01 -0.801395D+01
                 6             7             8             9            10 
      1   0.430269D+01 -0.122320D+02  0.950560D+01  0.294584D+01  0.526570D-01
      2  -0.293869D+01  0.871532D+01 -0.957062D+01 -0.219891D+01  0.434861D+01
      3  -0.136400D+01  0.351664D+01  0.650205D-01 -0.746935D+00 -0.440127D+01
      4  -0.584726D+01 -0.710666D+00 -0.836874D+01  0.204980D+01  0.561808D+01
      5   0.477508D+01  0.777062D-01  0.487224D+01 -0.701678D+01  0.113577D+01
      6  -0.131792D+02  0.924162D+00 -0.133012D+01 -0.400867D+01  0.363067D+01
                11            12            13            14            15 
      1   0.867858D+01  0.276378D+01  0.906783D+01 -0.285534D+02 -0.370680D+01
      2  -0.382655D+01 -0.202519D+01 -0.273989D+01  0.480710D+02  0.355846D+01
      3  -0.485203D+01 -0.738582D+00 -0.632794D+01 -0.195176D+02  0.148341D+00
      4   0.135808D+02  0.233740D+01  0.164676D+02  0.327914D+02  0.632492D+01
      5   0.238760D+01  0.480200D+01  0.688123D+01  0.132402D+01  0.576275D+01
      6   0.451846D+00 -0.243510D+01  0.227886D+01  0.165900D+02  0.178256D+02
                16            17            18            19            20 
      1   0.444596D+01 -0.104922D+02 -0.109718D+02  0.421949D+02 -0.603784D+01
      2  -0.309195D+01  0.766324D+01  0.275710D+01 -0.254212D+02  0.304241D+01
      3  -0.135401D+01  0.282893D+01  0.821474D+01 -0.167737D+02  0.299543D+01
      4   0.347927D+01  0.818290D+01  0.845965D+01 -0.904083D+01  0.920832D+01
      5   0.598369D+01  0.593072D+01  0.627701D+01  0.160195D+02 -0.347065D+01
      6  -0.150390D+00  0.153549D+02  0.119913D+02 -0.364438D+01  0.331777D+01
                21            22            23            24            25 
      1   0.823470D+01 -0.156573D+00  0.187305D+01  0.275002D+01  0.145960D+02
      2  -0.703021D+01  0.382171D+00 -0.164591D+01 -0.205053D+01 -0.124948D+02
      3  -0.120449D+01 -0.225598D+00 -0.227136D+00 -0.699489D+00 -0.210125D+01
      4  -0.327832D+01  0.105911D+02  0.590509D+01  0.919094D+01 -0.549956D+01
      5   0.144674D+02  0.616911D+00  0.998379D+01 -0.333870D+00  0.182267D+02
      6  -0.483082D+01  0.297460D+01 -0.201842D+01  0.764453D+01 -0.358720D+01
                26            27            28            29            30 
      1  -0.123218D+01  0.512556D+01  0.828744D+00 -0.301383D+01 -0.445066D+01
      2   0.913805D+00 -0.153257D+02  0.182080D+01  0.410958D+01 -0.467102D+01
      3   0.318372D+00  0.102001D+02 -0.264954D+01 -0.109575D+01  0.912168D+01
      4   0.112480D+02 -0.392143D+01 -0.254889D+01 -0.144009D+01  0.220393D+01
      5  -0.557350D+01  0.200457D+02  0.189916D+01  0.137889D+01 -0.708033D+01
      6   0.716646D+01 -0.568172D+01  0.651891D+01  0.399626D+01 -0.155514D+01
                31            32            33            34            35 
      1   0.140584D+01  0.308957D+01 -0.334388D+01 -0.207167D+01 -0.362880D+01
      2   0.307723D+01 -0.519373D+01 -0.712344D+01 -0.378668D+01 -0.136848D+01
      3  -0.448307D+01  0.210416D+01  0.104673D+02  0.585835D+01  0.499728D+01
      4  -0.748041D+01  0.448612D+01  0.182254D+01  0.199756D+01  0.281999D+01
      5   0.236476D+01  0.542783D+01 -0.693676D+01 -0.515104D+01 -0.441968D+01
      6   0.224102D+01 -0.325525D+01 -0.868621D+01 -0.131352D+01 -0.106859D+00
                36            37            38            39            40 
      1   0.142846D+00  0.830317D+00 -0.301352D+01  0.444972D+01  0.140650D+01
      2   0.101606D+02  0.182044D+01  0.410999D+01  0.467095D+01  0.307625D+01
      3  -0.103034D+02 -0.265076D+01 -0.109647D+01 -0.912067D+01 -0.448275D+01
      4  -0.281439D+01 -0.254752D+01 -0.143993D+01 -0.220408D+01 -0.748016D+01
      5   0.153121D+02 -0.189995D+01 -0.137871D+01 -0.707923D+01 -0.236453D+01
      6   0.957343D+01 -0.651868D+01 -0.399690D+01 -0.155480D+01 -0.224181D+01
                41            42            43            44            45 
      1   0.308993D+01  0.334290D+01  0.207026D+01  0.362744D+01  0.143955D+00
      2  -0.519328D+01  0.712307D+01  0.378646D+01  0.136928D+01  0.101595D+02
      3   0.210334D+01 -0.104660D+02 -0.585672D+01 -0.499672D+01 -0.103035D+02
      4   0.448808D+01 -0.182400D+01 -0.199812D+01 -0.282112D+01 -0.281337D+01
      5  -0.542945D+01 -0.693549D+01 -0.514838D+01 -0.441832D+01 -0.153135D+02
      6   0.325602D+01 -0.868734D+01 -0.131309D+01 -0.106734D+00 -0.957374D+01
                46            47            48            49            50 
      1  -0.615943D+01  0.449495D-01  0.117683D+01  0.657625D+01  0.156937D+02
      2   0.345068D+01  0.101587D+01 -0.411162D+01 -0.638665D+01 -0.241637D+02
      3   0.270875D+01 -0.106082D+01  0.293479D+01 -0.189600D+00  0.846998D+01
      4   0.103401D+02  0.189829D+01 -0.290243D+01 -0.100710D+02 -0.132463D+02
      5   0.718385D+01 -0.281975D+01 -0.235838D+00  0.215458D+01  0.302321D+01
      6   0.860557D+00  0.306220D+01  0.816935D+01  0.461348D+01  0.801414D+01
                51            52            53            54            55 
      1  -0.430155D+01  0.122315D+02 -0.950344D+01  0.294460D+01  0.550055D-01
      2   0.293906D+01 -0.871423D+01  0.956902D+01 -0.219867D+01  0.434769D+01
      3   0.136249D+01 -0.351729D+01 -0.655815D-01 -0.745931D+00 -0.440270D+01
      4   0.584730D+01  0.710782D+00  0.836820D+01  0.204939D+01  0.561948D+01
      5   0.477401D+01  0.760965D-01  0.487160D+01  0.701744D+01 -0.113637D+01
      6  -0.131787D+02  0.923664D+00 -0.133037D+01  0.400767D+01 -0.363048D+01
                56            57            58            59            60 
      1   0.867790D+01 -0.276311D+01  0.906733D+01 -0.285520D+02  0.370585D+01
      2  -0.382510D+01  0.202512D+01 -0.273863D+01  0.480713D+02 -0.355823D+01
      3  -0.485279D+01  0.737985D+00 -0.632870D+01 -0.195193D+02 -0.147615D+00
      4   0.135833D+02 -0.233738D+01  0.164694D+02  0.327934D+02 -0.632469D+01
      5  -0.238744D+01  0.480253D+01 -0.688180D+01 -0.132379D+01  0.576375D+01
      6  -0.452932D+00 -0.243392D+01 -0.227895D+01 -0.165900D+02  0.178248D+02
                61            62            63            64            65 
      1  -0.444502D+01  0.104908D+02 -0.109705D+02  0.736229D+01  0.149092D+01
      2   0.309147D+01 -0.766166D+01  0.275736D+01 -0.406754D+01 -0.532698D+01
      3   0.135355D+01 -0.282911D+01  0.821312D+01 -0.329475D+01  0.383607D+01
      4  -0.347890D+01 -0.818174D+01  0.845969D+01 -0.112585D+02  0.107102D+02
      5   0.598388D+01  0.593076D+01 -0.627627D+01 -0.278722D+01  0.214411D+01
      6  -0.149639D+00  0.153545D+02 -0.119901D+02  0.873420D+01 -0.476660D+01
                66            67            68            69            70 
      1   0.200138D+01 -0.993006D+00 -0.123759D+02 -0.366735D+01  0.682905D+00
      2   0.120832D+01 -0.429271D+01  0.211657D+02  0.565659D+01  0.106916D+01
      3  -0.320969D+01  0.528572D+01 -0.878981D+01 -0.198924D+01 -0.175206D+01
      4   0.430226D+01  0.100799D+02 -0.143178D+02 -0.241641D+01  0.708053D+01
      5   0.917626D+01  0.157341D+01 -0.844296D+01 -0.191060D+01  0.722831D+01
      6  -0.546456D+01 -0.166487D+01  0.131515D+02  0.121760D+02 -0.574571D+01
                71            72            73            74            75 
      1  -0.608171D+01 -0.581734D+01  0.736344D+01  0.149271D+01 -0.200094D+01
      2   0.456629D+01 -0.333496D+01 -0.406929D+01 -0.533014D+01 -0.120840D+01
      3   0.151542D+01  0.915230D+01 -0.329415D+01  0.383744D+01  0.320933D+01
      4  -0.506807D+01 -0.587727D+01 -0.112592D+02  0.107099D+02 -0.430240D+01
      5  -0.415964D+01 -0.497253D+01  0.278858D+01 -0.214457D+01  0.917671D+01
      6   0.920015D+01  0.100327D+02 -0.873379D+01  0.476740D+01 -0.546454D+01
                76            77            78            79            80 
      1  -0.992028D+00 -0.123733D+02  0.366754D+01 -0.682178D+00  0.608239D+01
      2  -0.429372D+01  0.211615D+02 -0.565667D+01 -0.106974D+01 -0.456730D+01
      3   0.528575D+01 -0.878821D+01  0.198913D+01  0.175192D+01 -0.151509D+01
      4   0.100795D+02 -0.143192D+02  0.241707D+01 -0.707949D+01  0.506740D+01
      5  -0.157356D+01  0.844424D+01 -0.191126D+01  0.722844D+01 -0.416003D+01
      6   0.166551D+01 -0.131516D+02  0.121764D+02 -0.574436D+01  0.919965D+01
                81            82            83            84            85 
      1  -0.581683D+01  0.421915D+02 -0.603815D+01 -0.823489D+01 -0.157244D+00
      2  -0.333546D+01 -0.254199D+02  0.304291D+01  0.703041D+01  0.382646D+00
      3   0.915228D+01 -0.167717D+02  0.299524D+01  0.120448D+01 -0.225402D+00
      4  -0.587688D+01 -0.904104D+01  0.920807D+01  0.327798D+01  0.105905D+02
      5   0.497255D+01 -0.160200D+02  0.347046D+01  0.144674D+02 -0.616728D+00
      6  -0.100318D+02  0.364399D+01 -0.331787D+01 -0.483044D+01 -0.297388D+01
                86            87            88            89            90 
      1   0.187262D+01 -0.275007D+01 -0.145949D+02  0.123183D+01  0.512466D+01
      2  -0.164633D+01  0.205036D+01  0.124940D+02 -0.913793D+00 -0.153257D+02
      3  -0.226289D+00  0.699708D+00  0.210087D+01 -0.318040D+00  0.102011D+02
      4   0.590543D+01 -0.919035D+01  0.549963D+01 -0.112477D+02 -0.392167D+01
      5  -0.998317D+01 -0.334119D+00  0.182265D+02 -0.557362D+01 -0.200463D+02
      6   0.201829D+01  0.764401D+01 -0.358716D+01  0.716691D+01  0.568217D+01
                91            92            93            94            95 
      1   0.282061D+01  0.139743D+01 -0.379541D+00  0.434552D+00 -0.240350D+01
      2  -0.719951D+01 -0.200279D+01  0.733268D+01 -0.178172D+01 -0.188049D+01
      3   0.437891D+01  0.605369D+00 -0.695314D+01  0.134717D+01  0.428398D+01
      4   0.292727D+01  0.335989D+01 -0.200321D+01  0.444715D+01  0.351145D+01
      5  -0.975034D+01 -0.261571D+01  0.133855D+02 -0.388290D+01 -0.562442D+01
      6  -0.352741D+01 -0.257954D+01  0.297180D+01 -0.330426D+01 -0.557521D+01
                96            97            98            99           100 
      1   0.396300D+01  0.619001D-01  0.256230D+01 -0.104994D+02  0.282034D+01
      2   0.409469D+01  0.705110D+01  0.310491D+01 -0.175493D+02 -0.719917D+01
      3  -0.805769D+01 -0.711300D+01 -0.566721D+01  0.280487D+02  0.437882D+01
      4  -0.415462D+01 -0.215923D+01 -0.381638D+01  0.352944D+01  0.292724D+01
      5   0.777173D+01  0.120195D+02  0.456345D+01 -0.216730D+02  0.975010D+01
      6   0.963577D+01  0.279730D+01  0.647690D+01 -0.942249D+01  0.352776D+01
               101           102           103           104           105 
      1   0.139741D+01  0.379770D+00  0.434473D+00 -0.240351D+01 -0.396279D+01
      2  -0.200279D+01 -0.733220D+01 -0.178143D+01 -0.188031D+01 -0.409432D+01
      3   0.605377D+00  0.695243D+01  0.134696D+01  0.428383D+01  0.805711D+01
      4   0.335999D+01  0.200337D+01  0.444715D+01  0.351160D+01  0.415473D+01
      5   0.261578D+01  0.133849D+02  0.388271D+01  0.562448D+01  0.777157D+01
      6   0.257960D+01  0.297184D+01  0.330428D+01  0.557535D+01  0.963580D+01
               106           107           108           109           110 
      1  -0.615141D-01 -0.256233D+01 -0.104992D+02  0.458321D+01 -0.425677D+01
      2  -0.705073D+01 -0.310494D+01 -0.175484D+02 -0.915469D+00  0.684490D+00
      3   0.711225D+01  0.566727D+01  0.280476D+02 -0.366775D+01  0.357228D+01
      4   0.215936D+01  0.381669D+01  0.352961D+01 -0.546116D+01  0.466728D+01
      5   0.120188D+02  0.456360D+01  0.216729D+02  0.174371D+01  0.662749D+00
      6   0.279743D+01  0.647708D+01  0.942331D+01 -0.861110D-01 -0.181413D+00
               111           112           113           114           115 
      1   0.915532D+00 -0.119761D+02  0.312213D+01  0.306583D+01  0.677542D+01
      2  -0.105087D+01  0.496723D+01  0.400134D+01 -0.383202D+01 -0.349779D+01
      3   0.135341D+00  0.700890D+01 -0.712347D+01  0.766190D+00 -0.327763D+01
      4  -0.399399D+00  0.876039D+01 -0.211120D+02  0.665382D+00 -0.990757D+00
      5   0.262198D+00  0.556921D+01  0.186234D+01 -0.756749D+01 -0.946387D+00
      6  -0.799862D-01 -0.277482D+01  0.500765D+01  0.213682D+01  0.508780D+00
               116           117           118           119           120 
      1  -0.125838D+01 -0.167383D+01  0.458285D+01 -0.425672D+01 -0.915918D+00
      2  -0.217589D+00  0.234399D+01 -0.915194D+00  0.684303D+00  0.105113D+01
      3   0.147597D+01 -0.670161D+00 -0.366766D+01  0.357242D+01 -0.135213D+00
      4   0.481825D+01 -0.306250D+01 -0.546112D+01  0.466724D+01  0.399595D+00
      5  -0.370864D+01  0.327039D+01 -0.174423D+01 -0.662505D+00  0.262138D+00
      6   0.802135D+00  0.277948D+00  0.862916D-01  0.181214D+00 -0.801079D-01
               121           122           123           124           125 
      1  -0.119773D+02  0.312240D+01 -0.306582D+01 -0.677643D+01  0.125845D+01
      2   0.496792D+01  0.400070D+01  0.383200D+01  0.349844D+01  0.217456D+00
      3   0.700937D+01 -0.712310D+01 -0.766174D+00  0.327799D+01 -0.147591D+01
      4   0.876038D+01 -0.211115D+02 -0.666052D+00  0.991096D+00 -0.481876D+01
      5  -0.556897D+01 -0.186304D+01 -0.756744D+01 -0.946132D+00 -0.370887D+01
      6   0.277441D+01 -0.500696D+01  0.213631D+01  0.508578D+00  0.802031D+00
               126           127           128           129           130 
      1  -0.167364D+01 -0.226359D+01 -0.233700D+01 -0.307883D+01 -0.234102D+01
      2   0.234380D+01  0.327377D+01  0.431935D+01 -0.741872D+00  0.273866D+01
      3  -0.670159D+00 -0.101019D+01 -0.198235D+01  0.382070D+01 -0.397637D+00
      4  -0.306274D+01  0.639670D+01 -0.293562D+01 -0.227560D+01  0.426818D+01
      5  -0.327075D+01  0.182289D+01  0.127616D+01 -0.333067D+01  0.172975D+01
      6  -0.278029D+00 -0.460357D+01  0.436923D+01  0.322271D+01 -0.125351D+01
               131           132           133           134           135 
      1  -0.648239D+01 -0.391581D+00  0.146531D+01  0.164550D+01 -0.217678D+00
      2   0.117159D+02 -0.192543D+01 -0.137310D+01 -0.375768D+01  0.218197D+01
      3  -0.523351D+01  0.231701D+01 -0.922125D-01  0.211218D+01 -0.196429D+01
      4  -0.104682D+01 -0.694938D+00 -0.529127D+01  0.392802D+01  0.163662D+01
      5   0.701898D+00 -0.156085D+01 -0.373910D+00 -0.530778D+00  0.243223D+01
      6   0.184206D+01  0.389585D+01  0.354035D+01  0.148869D+01 -0.246310D+01
               136           137           138           139           140 
      1  -0.226398D+01 -0.233892D+01  0.307832D+01 -0.234234D+01 -0.648460D+01
      2   0.327494D+01  0.432228D+01  0.741743D+00  0.274055D+01  0.117198D+02
      3  -0.101096D+01 -0.198336D+01 -0.382007D+01 -0.398211D+00 -0.523515D+01
      4   0.639673D+01 -0.293327D+01  0.227522D+01  0.426912D+01 -0.104641D+01
      5  -0.182316D+01 -0.127663D+01 -0.332998D+01 -0.173019D+01 -0.702107D+00
      6   0.460252D+01 -0.436912D+01  0.322278D+01  0.125338D+01 -0.184340D+01
               141           142           143           144 
      1   0.391897D+00 -0.146548D+01 -0.164540D+01 -0.218295D+00
      2   0.192535D+01  0.137321D+01  0.375793D+01  0.218173D+01
      3  -0.231725D+01  0.922754D-01 -0.211253D+01 -0.196343D+01
      4   0.695195D+00  0.528976D+01 -0.392690D+01  0.163606D+01
      5  -0.156102D+01 -0.373502D+00 -0.530851D+00 -0.243149D+01
      6   0.389607D+01  0.353924D+01  0.148932D+01  0.246142D+01
 Leave Link  716 at Fri Jul 16 13:27:41 2021, MaxMem=  5637144576 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.741302D+02 -0.605157D+01 -0.251854D-03
      2  -0.605157D+01  0.781047D+02  0.197832D-03
      3  -0.251854D-03  0.197832D-03  0.628965D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.874036D+01  0.490565D+01  0.113190D-03
      2  -0.267376D+02 -0.981397D+01 -0.673072D-03
      3   0.262160D-03  0.212251D-04  0.142831D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.433711D-02  0.196829D-02 -0.415626D+02
      2   0.253864D-02 -0.716623D-03 -0.121174D+01
      3   0.179847D-02 -0.125166D-02  0.427743D+02
      4   0.208053D-03  0.135348D-02 -0.135327D+02
      5  -0.192172D+02 -0.361291D+01  0.454232D-03
      6  -0.799681D+00  0.159996D+01 -0.181967D-02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.899104D-01 -0.137670D+01  0.255568D+00  0.138547D+01 -0.984080D+00
      2  -0.137670D+01 -0.848590D+00 -0.100359D+01 -0.984080D+00  0.536978D+01
      3   0.255568D+00 -0.100359D+01 -0.918763D+00  0.113178D+00  0.120973D+01
                 6             7             8             9            10 
      1   0.113178D+00  0.171957D+01 -0.169760D+01 -0.281065D-01  0.159257D+01
      2   0.120973D+01 -0.169760D+01  0.147839D+01 -0.752532D+00 -0.240905D+01
      3   0.642721D+00 -0.281065D-01 -0.752532D+00 -0.366195D-01 -0.548424D+00
                11            12            13            14            15 
      1  -0.240905D+01 -0.548424D+00 -0.455661D+01  0.236954D+00 -0.122812D+01
      2  -0.224832D+00  0.678958D-02  0.236954D+00 -0.112970D+02 -0.204371D+01
      3   0.678958D-02  0.809767D+00 -0.122812D+01 -0.204371D+01 -0.314467D+01
                16            17            18            19            20 
      1  -0.125776D+01  0.294353D+00 -0.838441D-01 -0.579049D+01  0.154868D+01
      2   0.294353D+00 -0.274182D+01 -0.285476D+01  0.154868D+01 -0.838357D+00
      3  -0.838441D-01 -0.285476D+01 -0.251067D+01 -0.189084D+01  0.476503D+00
                21            22            23            24            25 
      1  -0.189084D+01 -0.734272D+00 -0.102461D+01 -0.451483D+00 -0.321881D+01
      2   0.476503D+00 -0.102461D+01 -0.182749D+01 -0.212588D+01  0.843150D+00
      3  -0.111404D+01 -0.451483D+00 -0.212588D+01 -0.616491D+00 -0.301440D+01
                26            27            28            29            30 
      1   0.843150D+00 -0.301440D+01 -0.457592D+01  0.164183D+01 -0.136567D+00
      2  -0.235866D+01  0.942833D+00  0.164183D+01  0.120997D+01  0.602328D-01
      3   0.942833D+00 -0.351509D+01 -0.136567D+00  0.602328D-01  0.237428D+01
                31            32            33            34            35 
      1   0.256776D+01  0.215780D+01 -0.752441D+00 -0.592854D+00  0.143048D+00
      2   0.215780D+01 -0.274198D+01 -0.847038D+00  0.143048D+00 -0.502027D+00
      3  -0.752441D+00 -0.847038D+00  0.347435D+01  0.223944D+01  0.204588D+01
                36            37            38            39            40 
      1   0.223944D+01  0.457652D+01 -0.164143D+01 -0.137411D+00 -0.256698D+01
      2   0.204588D+01 -0.164143D+01 -0.121001D+01  0.600252D-01 -0.215767D+01
      3  -0.273780D+01 -0.137411D+00  0.600252D-01 -0.237389D+01 -0.752454D+00
                41            42            43            44            45 
      1  -0.215767D+01 -0.752454D+00 -0.593451D+00  0.142701D+00 -0.223874D+01
      2   0.274256D+01 -0.847528D+00  0.142701D+00 -0.502564D+00 -0.204541D+01
      3  -0.847528D+00 -0.347387D+01 -0.223874D+01 -0.204541D+01 -0.273835D+01
                46            47            48            49            50 
      1  -0.907691D-01  0.137646D+01  0.255931D+00 -0.138631D+01  0.983489D+00
      2   0.137646D+01  0.847855D+00 -0.100329D+01  0.983489D+00 -0.537049D+01
      3   0.255931D+00 -0.100329D+01  0.918089D+00  0.113515D+00  0.120999D+01
                51            52            53            54            55 
      1   0.113515D+00  0.171976D+01 -0.169719D+01  0.275409D-01 -0.159209D+01
      2   0.120999D+01 -0.169719D+01  0.147811D+01  0.752325D+00  0.240914D+01
      3  -0.642955D+00  0.275409D-01  0.752325D+00 -0.364768D-01 -0.548356D+00
                56            57            58            59            60 
      1   0.240914D+01 -0.548356D+00  0.455707D+01 -0.236479D+00 -0.122831D+01
      2   0.225387D+00  0.667596D-02 -0.236479D+00  0.112974D+02 -0.204369D+01
      3   0.667596D-02 -0.809513D+00 -0.122831D+01 -0.204369D+01  0.314484D+01
                61            62            63            64            65 
      1  -0.125749D+01  0.294300D+00  0.839980D-01 -0.427037D+01  0.151627D+01
      2   0.294300D+00 -0.274136D+01  0.285464D+01  0.151627D+01 -0.205925D+01
      3   0.839980D-01  0.285464D+01 -0.251032D+01  0.174665D+01 -0.225383D+00
                66            67            68            69            70 
      1   0.174665D+01 -0.703597D+00 -0.233372D+01  0.103302D+01  0.296260D+01
      2  -0.225383D+00 -0.233372D+01  0.603531D+01  0.195646D+01 -0.620017D-01
      3  -0.193224D+01  0.103302D+01  0.195646D+01 -0.939955D-01 -0.192383D+01
                71            72            73            74            75 
      1  -0.620017D-01 -0.192383D+01  0.427046D+01 -0.151612D+01  0.174664D+01
      2   0.207933D+01  0.159754D+01 -0.151612D+01  0.206014D+01 -0.225547D+00
      3   0.159754D+01  0.256424D+01  0.174664D+01 -0.225547D+00  0.193221D+01
                76            77            78            79            80 
      1   0.703727D+00  0.233411D+01  0.103290D+01  0.296176D+01 -0.619183D-01
      2   0.233411D+01 -0.603463D+01  0.195660D+01 -0.619183D-01  0.207948D+01
      3   0.103290D+01  0.195660D+01  0.939527D-01  0.192336D+01 -0.159761D+01
                81            82            83            84            85 
      1   0.192336D+01  0.579014D+01 -0.154869D+01 -0.189090D+01  0.734060D+00
      2  -0.159761D+01 -0.154869D+01  0.838414D+00  0.476442D+00  0.102448D+01
      3   0.256384D+01 -0.189090D+01  0.476442D+00  0.111417D+01 -0.451390D+00
                86            87            88            89            90 
      1   0.102448D+01 -0.451390D+00 -0.321865D+01  0.843126D+00  0.301438D+01
      2   0.182765D+01 -0.212586D+01  0.843126D+00 -0.235862D+01 -0.942900D+00
      3  -0.212586D+01  0.616436D+00  0.301438D+01 -0.942900D+00 -0.351538D+01
                91            92            93            94            95 
      1  -0.135558D+01 -0.867293D+00  0.196992D+01 -0.148488D+01 -0.107722D+01
      2  -0.867293D+00 -0.871727D+00  0.301814D+00 -0.107722D+01 -0.113416D+01
      3   0.196992D+01  0.301814D+00 -0.247412D+01  0.646267D+00  0.161490D+01
                96            97            98            99           100 
      1   0.646267D+00  0.234295D+01  0.505736D+00 -0.239935D+01  0.135536D+01
      2   0.161490D+01  0.505736D+00  0.169976D+01 -0.149525D+01  0.867275D+00
      3  -0.243957D+01 -0.239935D+01 -0.149525D+01  0.678980D+01  0.196995D+01
               101           102           103           104           105 
      1   0.867275D+00  0.196995D+01  0.148477D+01  0.107722D+01  0.646250D+00
      2   0.871733D+00  0.301828D+00  0.107722D+01  0.113416D+01  0.161489D+01
      3   0.301828D+00  0.247397D+01  0.646250D+00  0.161489D+01  0.243949D+01
               106           107           108           109           110 
      1   0.234298D+01  0.505768D+00  0.239915D+01  0.108737D+01 -0.943084D+00
      2   0.505768D+00  0.169990D+01  0.149524D+01 -0.943084D+00  0.760920D+00
      3   0.239915D+01  0.149524D+01  0.678974D+01  0.354116D+00  0.153165D+00
               111           112           113           114           115 
      1   0.354116D+00 -0.293085D+01  0.136866D+01  0.117246D+01  0.124459D+01
      2   0.153165D+00  0.136866D+01 -0.467804D+01  0.410828D+00 -0.184819D-01
      3   0.661357D-01  0.117246D+01  0.410828D+00 -0.191209D+01 -0.378066D+00
               116           117           118           119           120 
      1  -0.184819D-01 -0.378066D+00 -0.108730D+01  0.943082D+00  0.354229D+00
      2   0.108250D+01 -0.932504D+00  0.943082D+00 -0.760936D+00  0.153129D+00
      3  -0.932504D+00  0.502529D+00  0.354229D+00  0.153129D+00 -0.661457D-01
               121           122           123           124           125 
      1   0.293107D+01 -0.136859D+01  0.117245D+01  0.124482D+01 -0.184803D-01
      2  -0.136859D+01  0.467778D+01  0.410950D+00 -0.184803D-01  0.108257D+01
      3   0.117245D+01  0.410950D+00  0.191198D+01  0.378043D+00  0.932515D+00
               126           127           128           129           130 
      1   0.378043D+00  0.378844D+01  0.400634D+00 -0.175038D+01  0.186597D+01
      2   0.932515D+00  0.400634D+00  0.104275D+01  0.230588D+00  0.280825D+00
      3   0.502553D+00 -0.175038D+01  0.230588D+00  0.153154D+01 -0.532900D+00
               131           132           133           134           135 
      1   0.280825D+00 -0.532900D+00 -0.320052D+01 -0.820775D-02  0.118293D+01
      2   0.272962D+01 -0.175362D+00 -0.820775D-02 -0.737571D+00  0.470464D+00
      3  -0.175362D+00  0.121061D+01  0.118293D+01  0.470464D+00 -0.105634D+01
               136           137           138           139           140 
      1  -0.378826D+01 -0.401013D+00 -0.175013D+01 -0.186639D+01 -0.281166D+00
      2  -0.401013D+00 -0.104347D+01  0.230618D+00 -0.281166D+00 -0.273048D+01
      3  -0.175013D+01  0.230618D+00 -0.153146D+01 -0.532937D+00 -0.175280D+00
               141           142           143           144 
      1  -0.532937D+00 -0.319949D+01 -0.830599D-02 -0.118250D+01
      2  -0.175280D+00 -0.830599D-02 -0.737424D+00 -0.470465D+00
      3  -0.121074D+01 -0.118250D+01 -0.470465D+00 -0.105566D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.202816D+01 -0.327778D+01 -0.240795D+01 -0.405262D+01 -0.491404D+01
      2   0.103963D+02  0.589162D+01  0.609859D+01  0.640524D+01 -0.101849D+01
      3   0.305214D+01 -0.487723D+01 -0.295698D+01 -0.559010D+01  0.449767D+01
                 6             7             8             9            10 
      1   0.291559D+01  0.850236D+00  0.400706D+01  0.393368D+01  0.209358D+01
      2   0.192398D+01 -0.513813D+01  0.284977D+00 -0.999489D+01 -0.983066D+00
      3   0.310917D+01 -0.849959D+01  0.566164D+01 -0.274387D+01 -0.621298D+01
                11            12            13            14            15 
      1   0.460979D+00  0.758495D+00 -0.206983D+01  0.441523D+01 -0.101987D+02
      2  -0.216383D+01  0.304693D+00 -0.126707D+01  0.355211D+01  0.327928D+01
      3  -0.124498D+01  0.465156D+00  0.140710D+02 -0.170243D+02 -0.849641D+00
                16            17            18            19            20 
      1  -0.189848D+01  0.217491D+01 -0.444211D+01 -0.990354D-01  0.227586D+01
      2  -0.409673D+01  0.528794D+01  0.585157D+01 -0.154672D+01 -0.138473D+01
      3   0.507434D+01 -0.421880D+01 -0.399000D+01  0.105018D+01 -0.686713D+01
                21            22            23            24            25 
      1   0.201576D+01  0.215543D+01  0.502246D+01  0.132404D+01 -0.652702D+00
      2   0.494313D+01 -0.121582D+01  0.494396D+01  0.873485D+00  0.336145D+01
      3   0.303863D+00 -0.170925D+01 -0.773741D+01 -0.725758D+01 -0.148637D+00
                26            27            28            29            30 
      1   0.673900D+01  0.142152D+01  0.174994D+01  0.138156D+01 -0.348009D+00
      2   0.101379D+01  0.112856D+02  0.104908D+02 -0.446279D+00  0.141089D+01
      3  -0.952113D+01  0.110280D+01  0.108813D+01 -0.160355D+01 -0.231903D+00
                31            32            33            34            35 
      1   0.350559D+01 -0.371229D+01 -0.126598D+01  0.588050D+00  0.334249D+01
      2  -0.543890D+01 -0.174692D+01  0.124716D+01 -0.592012D+01 -0.308443D+00
      3   0.344648D+01 -0.167667D+01 -0.182450D+01 -0.287618D+00 -0.118172D+01
                36            37            38            39            40 
      1   0.217526D+01 -0.174927D+01 -0.138159D+01 -0.348119D+00 -0.350522D+01
      2   0.219008D+01 -0.104925D+02  0.445246D+00  0.141291D+01  0.543714D+01
      3   0.855451D+00  0.108719D+01 -0.160336D+01  0.232021D+00  0.344677D+01
                41            42            43            44            45 
      1   0.371383D+01 -0.126644D+01  0.587292D+00  0.334182D+01 -0.217441D+01
      2   0.174590D+01  0.124797D+01 -0.591814D+01 -0.306930D+00 -0.219248D+01
      3  -0.167787D+01  0.182497D+01  0.288194D+00  0.118216D+01  0.854453D+00
                46            47            48            49            50 
      1   0.202727D+01  0.327739D+01 -0.240628D+01  0.405206D+01  0.491262D+01
      2  -0.103951D+02 -0.588991D+01  0.609747D+01 -0.640231D+01  0.101960D+01
      3   0.305210D+01 -0.487641D+01  0.295624D+01 -0.559064D+01  0.449817D+01
                51            52            53            54            55 
      1   0.291606D+01  0.849835D+00  0.400725D+01 -0.393280D+01 -0.209338D+01
      2   0.192186D+01 -0.513849D+01  0.284328D+00  0.999566D+01  0.983892D+00
      3  -0.310937D+01  0.849753D+01 -0.566096D+01 -0.274295D+01 -0.621200D+01
                56            57            58            59            60 
      1  -0.461079D+00  0.757585D+00  0.206955D+01 -0.441510D+01 -0.101986D+02
      2   0.216353D+01  0.304869D+00  0.126581D+01 -0.355199D+01  0.328007D+01
      3  -0.124586D+01 -0.464976D+00  0.140708D+02 -0.170236D+02  0.849544D+00
                61            62            63            64            65 
      1  -0.189829D+01  0.217508D+01  0.444126D+01 -0.446086D+01 -0.289469D+01
      2  -0.409689D+01  0.528738D+01 -0.585056D+01  0.241162D+00 -0.224079D+01
      3  -0.507323D+01  0.421834D+01 -0.398978D+01 -0.128674D+02 -0.608940D+01
                66            67            68            69            70 
      1   0.542567D+01 -0.647443D+01  0.573221D+01 -0.175982D+01  0.531775D+01
      2   0.421256D+01 -0.433191D+00  0.775077D+00 -0.234876D+01 -0.241448D+01
      3   0.624742D+01 -0.190346D+00  0.400001D+01  0.605179D+01  0.993228D+01
                71            72            73            74            75 
      1   0.497582D+01 -0.413072D+01  0.446079D+01  0.289577D+01  0.542540D+01
      2  -0.145649D+01 -0.202489D+01 -0.242133D+00  0.224056D+01  0.421210D+01
      3   0.313559D+01 -0.319112D+01 -0.128677D+02 -0.609090D+01 -0.624668D+01
                76            77            78            79            80 
      1   0.647534D+01 -0.573167D+01 -0.175899D+01  0.531637D+01  0.497625D+01
      2   0.433409D+00 -0.775387D+00 -0.234877D+01 -0.241490D+01 -0.145649D+01
      3  -0.192718D+00  0.399905D+01 -0.605222D+01 -0.993018D+01 -0.313604D+01
                81            82            83            84            85 
      1   0.412935D+01  0.992911D-01 -0.227579D+01  0.201524D+01 -0.215494D+01
      2   0.202472D+01  0.154691D+01  0.138438D+01  0.494277D+01  0.121545D+01
      3  -0.318961D+01  0.104992D+01 -0.686706D+01 -0.303758D+00 -0.170781D+01
                86            87            88            89            90 
      1  -0.502268D+01  0.132444D+01 -0.652393D+00  0.673925D+01 -0.142186D+01
      2  -0.494406D+01  0.873852D+00  0.336070D+01  0.101364D+01 -0.112855D+02
      3  -0.773706D+01  0.725711D+01  0.148627D+00  0.952054D+01  0.110291D+01
                91            92            93            94            95 
      1  -0.957529D+00 -0.132108D+01  0.245829D-02 -0.133596D+01 -0.133548D+01
      2   0.152241D+00  0.543517D+00 -0.138448D+00  0.183344D+01  0.593096D-01
      3  -0.393401D+00 -0.176363D+01  0.213260D+00  0.257772D+00 -0.120093D+01
                96            97            98            99           100 
      1   0.116662D+01  0.166226D+00  0.348305D+01 -0.118314D+01  0.957453D+00
      2   0.594999D+00 -0.293825D+01  0.245395D+00 -0.212751D+01 -0.151812D+00
      3   0.180264D+01 -0.305737D+00  0.218510D+01 -0.623244D+00 -0.393158D+00
               101           102           103           104           105 
      1   0.132102D+01  0.232761D-02  0.133599D+01  0.133514D+01  0.116650D+01
      2  -0.543548D+00 -0.138589D+00 -0.183331D+01 -0.593496D-01  0.594927D+00
      3  -0.176349D+01 -0.213177D+00  0.257969D+00 -0.120060D+01 -0.180257D+01
               106           107           108           109           110 
      1   0.166234D+00  0.348298D+01  0.118260D+01  0.159379D+01  0.932893D+00
      2  -0.293828D+01  0.245187D+00  0.212797D+01 -0.156509D+00 -0.661274D+00
      3   0.305904D+00 -0.218523D+01 -0.622941D+00  0.279275D+01 -0.729251D+00
               111           112           113           114           115 
      1  -0.675909D+00  0.816252D+00  0.774909D+01 -0.408097D+01 -0.104747D+01
      2  -0.457910D-01  0.874395D+00  0.282940D+01 -0.502357D+01 -0.930524D+00
      3  -0.135848D+01  0.105555D+01  0.150948D+02 -0.424898D+01 -0.186863D+01
               116           117           118           119           120 
      1  -0.286442D+01  0.192147D+01 -0.159395D+01 -0.933161D+00 -0.675846D+00
      2  -0.336047D+01  0.332498D+01  0.156408D+00  0.661344D+00 -0.458300D-01
      3  -0.598998D+01  0.381654D+01  0.279305D+01 -0.728917D+00  0.135856D+01
               121           122           123           124           125 
      1  -0.816606D+00 -0.774843D+01 -0.408068D+01 -0.104737D+01 -0.286429D+01
      2  -0.874532D+00 -0.282942D+01 -0.502345D+01 -0.930611D+00 -0.336049D+01
      3   0.105631D+01  0.150949D+02  0.424952D+01  0.186910D+01  0.599069D+01
               126           127           128           129           130 
      1  -0.192114D+01  0.735174D+01  0.233787D+01 -0.477044D+01  0.341843D+01
      2  -0.332504D+01 -0.175356D+01  0.506058D+00 -0.106080D+01 -0.590339D+00
      3   0.381664D+01  0.130029D+02  0.364900D+01 -0.716042D+01  0.719067D+01
               131           132           133           134           135 
      1   0.214347D+01 -0.382649D+01 -0.483567D+01 -0.233194D+01  0.396826D+01
      2   0.624772D-01 -0.546502D+00 -0.455650D+00 -0.193652D+00  0.183431D+01
      3   0.253301D+01 -0.297842D+01 -0.105416D+02 -0.274817D+01  0.477294D+01
               136           137           138           139           140 
      1  -0.735167D+01 -0.233817D+01 -0.477039D+01 -0.341892D+01 -0.214446D+01
      2   0.175359D+01 -0.505788D+00 -0.106026D+01  0.590597D+00 -0.622109D-01
      3   0.130033D+02  0.364945D+01  0.715977D+01  0.719200D+01  0.253491D+01
               141           142           143           144 
      1  -0.382678D+01 -0.483451D+01 -0.233158D+01 -0.396713D+01
      2  -0.546541D+00 -0.455459D+00 -0.193706D+00 -0.183393D+01
      3   0.297841D+01  0.105392D+02  0.274797D+01  0.477177D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.615853D+01  0.441105D-01 -0.117648D+01  0.657722D+01  0.156953D+02
      2   0.345013D+01  0.101756D+01  0.411119D+01 -0.638665D+01 -0.241639D+02
      3   0.270841D+01 -0.106167D+01 -0.293471D+01 -0.190566D+00  0.846856D+01
      4   0.103411D+02  0.190027D+01  0.290325D+01 -0.100686D+02 -0.132442D+02
      5  -0.718256D+01  0.282042D+01 -0.234487D+00 -0.215389D+01 -0.302287D+01
      6  -0.860486D+00 -0.306115D+01  0.817092D+01 -0.461368D+01 -0.801395D+01
                 6             7             8             9            10 
      1   0.430269D+01 -0.122320D+02  0.950560D+01  0.294584D+01  0.526570D-01
      2  -0.293869D+01  0.871532D+01 -0.957062D+01 -0.219891D+01  0.434861D+01
      3  -0.136400D+01  0.351664D+01  0.650205D-01 -0.746935D+00 -0.440127D+01
      4  -0.584726D+01 -0.710666D+00 -0.836874D+01  0.204980D+01  0.561808D+01
      5   0.477508D+01  0.777062D-01  0.487224D+01 -0.701678D+01  0.113577D+01
      6  -0.131792D+02  0.924162D+00 -0.133012D+01 -0.400867D+01  0.363067D+01
                11            12            13            14            15 
      1   0.867858D+01  0.276378D+01  0.906783D+01 -0.285534D+02 -0.370680D+01
      2  -0.382655D+01 -0.202519D+01 -0.273989D+01  0.480710D+02  0.355846D+01
      3  -0.485203D+01 -0.738582D+00 -0.632794D+01 -0.195176D+02  0.148341D+00
      4   0.135808D+02  0.233740D+01  0.164676D+02  0.327914D+02  0.632492D+01
      5   0.238760D+01  0.480200D+01  0.688123D+01  0.132402D+01  0.576275D+01
      6   0.451846D+00 -0.243510D+01  0.227886D+01  0.165900D+02  0.178256D+02
                16            17            18            19            20 
      1   0.444596D+01 -0.104922D+02 -0.109718D+02  0.421949D+02 -0.603784D+01
      2  -0.309195D+01  0.766324D+01  0.275710D+01 -0.254212D+02  0.304241D+01
      3  -0.135401D+01  0.282893D+01  0.821474D+01 -0.167737D+02  0.299543D+01
      4   0.347927D+01  0.818290D+01  0.845965D+01 -0.904083D+01  0.920832D+01
      5   0.598369D+01  0.593072D+01  0.627701D+01  0.160195D+02 -0.347065D+01
      6  -0.150390D+00  0.153549D+02  0.119913D+02 -0.364438D+01  0.331777D+01
                21            22            23            24            25 
      1   0.823470D+01 -0.156573D+00  0.187305D+01  0.275002D+01  0.145960D+02
      2  -0.703021D+01  0.382171D+00 -0.164591D+01 -0.205053D+01 -0.124948D+02
      3  -0.120449D+01 -0.225598D+00 -0.227136D+00 -0.699489D+00 -0.210125D+01
      4  -0.327832D+01  0.105911D+02  0.590509D+01  0.919094D+01 -0.549956D+01
      5   0.144674D+02  0.616911D+00  0.998379D+01 -0.333870D+00  0.182267D+02
      6  -0.483082D+01  0.297460D+01 -0.201842D+01  0.764453D+01 -0.358720D+01
                26            27            28            29            30 
      1  -0.123218D+01  0.512556D+01  0.828744D+00 -0.301383D+01 -0.445066D+01
      2   0.913805D+00 -0.153257D+02  0.182080D+01  0.410958D+01 -0.467102D+01
      3   0.318372D+00  0.102001D+02 -0.264954D+01 -0.109575D+01  0.912168D+01
      4   0.112480D+02 -0.392143D+01 -0.254889D+01 -0.144009D+01  0.220393D+01
      5  -0.557350D+01  0.200457D+02  0.189916D+01  0.137889D+01 -0.708033D+01
      6   0.716646D+01 -0.568172D+01  0.651891D+01  0.399626D+01 -0.155514D+01
                31            32            33            34            35 
      1   0.140584D+01  0.308957D+01 -0.334388D+01 -0.207167D+01 -0.362880D+01
      2   0.307723D+01 -0.519373D+01 -0.712344D+01 -0.378668D+01 -0.136848D+01
      3  -0.448307D+01  0.210416D+01  0.104673D+02  0.585835D+01  0.499728D+01
      4  -0.748041D+01  0.448612D+01  0.182254D+01  0.199756D+01  0.281999D+01
      5   0.236476D+01  0.542783D+01 -0.693676D+01 -0.515104D+01 -0.441968D+01
      6   0.224102D+01 -0.325525D+01 -0.868621D+01 -0.131352D+01 -0.106859D+00
                36            37            38            39            40 
      1   0.142846D+00  0.830317D+00 -0.301352D+01  0.444972D+01  0.140650D+01
      2   0.101606D+02  0.182044D+01  0.410999D+01  0.467095D+01  0.307625D+01
      3  -0.103034D+02 -0.265076D+01 -0.109647D+01 -0.912067D+01 -0.448275D+01
      4  -0.281439D+01 -0.254752D+01 -0.143993D+01 -0.220408D+01 -0.748016D+01
      5   0.153121D+02 -0.189995D+01 -0.137871D+01 -0.707923D+01 -0.236453D+01
      6   0.957343D+01 -0.651868D+01 -0.399690D+01 -0.155480D+01 -0.224181D+01
                41            42            43            44            45 
      1   0.308993D+01  0.334290D+01  0.207026D+01  0.362744D+01  0.143955D+00
      2  -0.519328D+01  0.712307D+01  0.378646D+01  0.136928D+01  0.101595D+02
      3   0.210334D+01 -0.104660D+02 -0.585672D+01 -0.499672D+01 -0.103035D+02
      4   0.448808D+01 -0.182400D+01 -0.199812D+01 -0.282112D+01 -0.281337D+01
      5  -0.542945D+01 -0.693549D+01 -0.514838D+01 -0.441832D+01 -0.153135D+02
      6   0.325602D+01 -0.868734D+01 -0.131309D+01 -0.106734D+00 -0.957374D+01
                46            47            48            49            50 
      1  -0.615943D+01  0.449495D-01  0.117683D+01  0.657625D+01  0.156937D+02
      2   0.345068D+01  0.101587D+01 -0.411162D+01 -0.638665D+01 -0.241637D+02
      3   0.270875D+01 -0.106082D+01  0.293479D+01 -0.189600D+00  0.846998D+01
      4   0.103401D+02  0.189829D+01 -0.290243D+01 -0.100710D+02 -0.132463D+02
      5   0.718385D+01 -0.281975D+01 -0.235838D+00  0.215458D+01  0.302321D+01
      6   0.860557D+00  0.306220D+01  0.816935D+01  0.461348D+01  0.801414D+01
                51            52            53            54            55 
      1  -0.430155D+01  0.122315D+02 -0.950344D+01  0.294460D+01  0.550055D-01
      2   0.293906D+01 -0.871423D+01  0.956902D+01 -0.219867D+01  0.434769D+01
      3   0.136249D+01 -0.351729D+01 -0.655815D-01 -0.745931D+00 -0.440270D+01
      4   0.584730D+01  0.710782D+00  0.836820D+01  0.204939D+01  0.561948D+01
      5   0.477401D+01  0.760965D-01  0.487160D+01  0.701744D+01 -0.113637D+01
      6  -0.131787D+02  0.923664D+00 -0.133037D+01  0.400767D+01 -0.363048D+01
                56            57            58            59            60 
      1   0.867790D+01 -0.276311D+01  0.906733D+01 -0.285520D+02  0.370585D+01
      2  -0.382510D+01  0.202512D+01 -0.273863D+01  0.480713D+02 -0.355823D+01
      3  -0.485279D+01  0.737985D+00 -0.632870D+01 -0.195193D+02 -0.147615D+00
      4   0.135833D+02 -0.233738D+01  0.164694D+02  0.327934D+02 -0.632469D+01
      5  -0.238744D+01  0.480253D+01 -0.688180D+01 -0.132379D+01  0.576375D+01
      6  -0.452932D+00 -0.243392D+01 -0.227895D+01 -0.165900D+02  0.178248D+02
                61            62            63            64            65 
      1  -0.444502D+01  0.104908D+02 -0.109705D+02  0.736229D+01  0.149092D+01
      2   0.309147D+01 -0.766166D+01  0.275736D+01 -0.406754D+01 -0.532698D+01
      3   0.135355D+01 -0.282911D+01  0.821312D+01 -0.329475D+01  0.383607D+01
      4  -0.347890D+01 -0.818174D+01  0.845969D+01 -0.112585D+02  0.107102D+02
      5   0.598388D+01  0.593076D+01 -0.627627D+01 -0.278722D+01  0.214411D+01
      6  -0.149639D+00  0.153545D+02 -0.119901D+02  0.873420D+01 -0.476660D+01
                66            67            68            69            70 
      1   0.200138D+01 -0.993006D+00 -0.123759D+02 -0.366735D+01  0.682905D+00
      2   0.120832D+01 -0.429271D+01  0.211657D+02  0.565659D+01  0.106916D+01
      3  -0.320969D+01  0.528572D+01 -0.878981D+01 -0.198924D+01 -0.175206D+01
      4   0.430226D+01  0.100799D+02 -0.143178D+02 -0.241641D+01  0.708053D+01
      5   0.917626D+01  0.157341D+01 -0.844296D+01 -0.191060D+01  0.722831D+01
      6  -0.546456D+01 -0.166487D+01  0.131515D+02  0.121760D+02 -0.574571D+01
                71            72            73            74            75 
      1  -0.608171D+01 -0.581734D+01  0.736344D+01  0.149271D+01 -0.200094D+01
      2   0.456629D+01 -0.333496D+01 -0.406929D+01 -0.533014D+01 -0.120840D+01
      3   0.151542D+01  0.915230D+01 -0.329415D+01  0.383744D+01  0.320933D+01
      4  -0.506807D+01 -0.587727D+01 -0.112592D+02  0.107099D+02 -0.430240D+01
      5  -0.415964D+01 -0.497253D+01  0.278858D+01 -0.214457D+01  0.917671D+01
      6   0.920015D+01  0.100327D+02 -0.873379D+01  0.476740D+01 -0.546454D+01
                76            77            78            79            80 
      1  -0.992028D+00 -0.123733D+02  0.366754D+01 -0.682178D+00  0.608239D+01
      2  -0.429372D+01  0.211615D+02 -0.565667D+01 -0.106974D+01 -0.456730D+01
      3   0.528575D+01 -0.878821D+01  0.198913D+01  0.175192D+01 -0.151509D+01
      4   0.100795D+02 -0.143192D+02  0.241707D+01 -0.707949D+01  0.506740D+01
      5  -0.157356D+01  0.844424D+01 -0.191126D+01  0.722844D+01 -0.416003D+01
      6   0.166551D+01 -0.131516D+02  0.121764D+02 -0.574436D+01  0.919965D+01
                81            82            83            84            85 
      1  -0.581683D+01  0.421915D+02 -0.603815D+01 -0.823489D+01 -0.157244D+00
      2  -0.333546D+01 -0.254199D+02  0.304291D+01  0.703041D+01  0.382646D+00
      3   0.915228D+01 -0.167717D+02  0.299524D+01  0.120448D+01 -0.225402D+00
      4  -0.587688D+01 -0.904104D+01  0.920807D+01  0.327798D+01  0.105905D+02
      5   0.497255D+01 -0.160200D+02  0.347046D+01  0.144674D+02 -0.616728D+00
      6  -0.100318D+02  0.364399D+01 -0.331787D+01 -0.483044D+01 -0.297388D+01
                86            87            88            89            90 
      1   0.187262D+01 -0.275007D+01 -0.145949D+02  0.123183D+01  0.512466D+01
      2  -0.164633D+01  0.205036D+01  0.124940D+02 -0.913793D+00 -0.153257D+02
      3  -0.226289D+00  0.699708D+00  0.210087D+01 -0.318040D+00  0.102011D+02
      4   0.590543D+01 -0.919035D+01  0.549963D+01 -0.112477D+02 -0.392167D+01
      5  -0.998317D+01 -0.334119D+00  0.182265D+02 -0.557362D+01 -0.200463D+02
      6   0.201829D+01  0.764401D+01 -0.358716D+01  0.716691D+01  0.568217D+01
                91            92            93            94            95 
      1   0.282061D+01  0.139743D+01 -0.379541D+00  0.434552D+00 -0.240350D+01
      2  -0.719951D+01 -0.200279D+01  0.733268D+01 -0.178172D+01 -0.188049D+01
      3   0.437891D+01  0.605369D+00 -0.695314D+01  0.134717D+01  0.428398D+01
      4   0.292727D+01  0.335989D+01 -0.200321D+01  0.444715D+01  0.351145D+01
      5  -0.975034D+01 -0.261571D+01  0.133855D+02 -0.388290D+01 -0.562442D+01
      6  -0.352741D+01 -0.257954D+01  0.297180D+01 -0.330426D+01 -0.557521D+01
                96            97            98            99           100 
      1   0.396300D+01  0.619001D-01  0.256230D+01 -0.104994D+02  0.282034D+01
      2   0.409469D+01  0.705110D+01  0.310491D+01 -0.175493D+02 -0.719917D+01
      3  -0.805769D+01 -0.711300D+01 -0.566721D+01  0.280487D+02  0.437882D+01
      4  -0.415462D+01 -0.215923D+01 -0.381638D+01  0.352944D+01  0.292724D+01
      5   0.777173D+01  0.120195D+02  0.456345D+01 -0.216730D+02  0.975010D+01
      6   0.963577D+01  0.279730D+01  0.647690D+01 -0.942249D+01  0.352776D+01
               101           102           103           104           105 
      1   0.139741D+01  0.379770D+00  0.434473D+00 -0.240351D+01 -0.396279D+01
      2  -0.200279D+01 -0.733220D+01 -0.178143D+01 -0.188031D+01 -0.409432D+01
      3   0.605377D+00  0.695243D+01  0.134696D+01  0.428383D+01  0.805711D+01
      4   0.335999D+01  0.200337D+01  0.444715D+01  0.351160D+01  0.415473D+01
      5   0.261578D+01  0.133849D+02  0.388271D+01  0.562448D+01  0.777157D+01
      6   0.257960D+01  0.297184D+01  0.330428D+01  0.557535D+01  0.963580D+01
               106           107           108           109           110 
      1  -0.615141D-01 -0.256233D+01 -0.104992D+02  0.458321D+01 -0.425677D+01
      2  -0.705073D+01 -0.310494D+01 -0.175484D+02 -0.915469D+00  0.684490D+00
      3   0.711225D+01  0.566727D+01  0.280476D+02 -0.366775D+01  0.357228D+01
      4   0.215936D+01  0.381669D+01  0.352961D+01 -0.546116D+01  0.466728D+01
      5   0.120188D+02  0.456360D+01  0.216729D+02  0.174371D+01  0.662749D+00
      6   0.279743D+01  0.647708D+01  0.942331D+01 -0.861110D-01 -0.181413D+00
               111           112           113           114           115 
      1   0.915532D+00 -0.119761D+02  0.312213D+01  0.306583D+01  0.677542D+01
      2  -0.105087D+01  0.496723D+01  0.400134D+01 -0.383202D+01 -0.349779D+01
      3   0.135341D+00  0.700890D+01 -0.712347D+01  0.766190D+00 -0.327763D+01
      4  -0.399399D+00  0.876039D+01 -0.211120D+02  0.665382D+00 -0.990757D+00
      5   0.262198D+00  0.556921D+01  0.186234D+01 -0.756749D+01 -0.946387D+00
      6  -0.799862D-01 -0.277482D+01  0.500765D+01  0.213682D+01  0.508780D+00
               116           117           118           119           120 
      1  -0.125838D+01 -0.167383D+01  0.458285D+01 -0.425672D+01 -0.915918D+00
      2  -0.217589D+00  0.234399D+01 -0.915194D+00  0.684303D+00  0.105113D+01
      3   0.147597D+01 -0.670161D+00 -0.366766D+01  0.357242D+01 -0.135213D+00
      4   0.481825D+01 -0.306250D+01 -0.546112D+01  0.466724D+01  0.399595D+00
      5  -0.370864D+01  0.327039D+01 -0.174423D+01 -0.662505D+00  0.262138D+00
      6   0.802135D+00  0.277948D+00  0.862916D-01  0.181214D+00 -0.801079D-01
               121           122           123           124           125 
      1  -0.119773D+02  0.312240D+01 -0.306582D+01 -0.677643D+01  0.125845D+01
      2   0.496792D+01  0.400070D+01  0.383200D+01  0.349844D+01  0.217456D+00
      3   0.700937D+01 -0.712310D+01 -0.766174D+00  0.327799D+01 -0.147591D+01
      4   0.876038D+01 -0.211115D+02 -0.666052D+00  0.991096D+00 -0.481876D+01
      5  -0.556897D+01 -0.186304D+01 -0.756744D+01 -0.946132D+00 -0.370887D+01
      6   0.277441D+01 -0.500696D+01  0.213631D+01  0.508578D+00  0.802031D+00
               126           127           128           129           130 
      1  -0.167364D+01 -0.226359D+01 -0.233700D+01 -0.307883D+01 -0.234102D+01
      2   0.234380D+01  0.327377D+01  0.431935D+01 -0.741872D+00  0.273866D+01
      3  -0.670159D+00 -0.101019D+01 -0.198235D+01  0.382070D+01 -0.397637D+00
      4  -0.306274D+01  0.639670D+01 -0.293562D+01 -0.227560D+01  0.426818D+01
      5  -0.327075D+01  0.182289D+01  0.127616D+01 -0.333067D+01  0.172975D+01
      6  -0.278029D+00 -0.460357D+01  0.436923D+01  0.322271D+01 -0.125351D+01
               131           132           133           134           135 
      1  -0.648239D+01 -0.391581D+00  0.146531D+01  0.164550D+01 -0.217678D+00
      2   0.117159D+02 -0.192543D+01 -0.137310D+01 -0.375768D+01  0.218197D+01
      3  -0.523351D+01  0.231701D+01 -0.922125D-01  0.211218D+01 -0.196429D+01
      4  -0.104682D+01 -0.694938D+00 -0.529127D+01  0.392802D+01  0.163662D+01
      5   0.701898D+00 -0.156085D+01 -0.373910D+00 -0.530778D+00  0.243223D+01
      6   0.184206D+01  0.389585D+01  0.354035D+01  0.148869D+01 -0.246310D+01
               136           137           138           139           140 
      1  -0.226398D+01 -0.233892D+01  0.307832D+01 -0.234234D+01 -0.648460D+01
      2   0.327494D+01  0.432228D+01  0.741743D+00  0.274055D+01  0.117198D+02
      3  -0.101096D+01 -0.198336D+01 -0.382007D+01 -0.398211D+00 -0.523515D+01
      4   0.639673D+01 -0.293327D+01  0.227522D+01  0.426912D+01 -0.104641D+01
      5  -0.182316D+01 -0.127663D+01 -0.332998D+01 -0.173019D+01 -0.702107D+00
      6   0.460252D+01 -0.436912D+01  0.322278D+01  0.125338D+01 -0.184340D+01
               141           142           143           144 
      1   0.391897D+00 -0.146548D+01 -0.164540D+01 -0.218295D+00
      2   0.192535D+01  0.137321D+01  0.375793D+01  0.218173D+01
      3  -0.231725D+01  0.922754D-01 -0.211253D+01 -0.196343D+01
      4   0.695195D+00  0.528976D+01 -0.392690D+01  0.163606D+01
      5  -0.156102D+01 -0.373502D+00 -0.530851D+00 -0.243149D+01
      6   0.389607D+01  0.353924D+01  0.148932D+01  0.246142D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x         -0.219189D-04     -0.557122D-04     -0.185836D-03
   y         -0.101866D-03     -0.258916D-03     -0.863652D-03
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx        -0.296794D-03     -0.439804D-04     -0.489348D-04
   zy         0.199159D-03      0.295122D-04      0.328368D-04
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.717105D+02      0.106264D+02      0.118235D+02
   aniso      0.172193D+02      0.255164D+01      0.283908D+01
   xx         0.741302D+02      0.109850D+02      0.122224D+02
   yx        -0.605157D+01     -0.896750D+00     -0.997768D+00
   yy         0.781047D+02      0.115739D+02      0.128777D+02
   zx        -0.251854D-03     -0.373210D-04     -0.415252D-04
   zy         0.197832D-03      0.293157D-04      0.326181D-04
   zz         0.628965D+02      0.932030D+01      0.103702D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.76735853         -0.96502805         -0.57007385
     8         -2.31696074         -3.11815562         -1.19555530
     8         -4.48337387          0.44921833         -1.71637645
     6         -1.42254131          0.31564008          1.65808247
     6          1.42263979         -0.31523177          1.65805615
     6          2.76726756          0.96486607         -0.57045900
     8          2.31696707          3.11792165         -1.19628239
     8         -1.89866432          2.93902700          1.70264174
     8          1.89885183         -2.93862214          1.70328911
     8          4.48316494         -0.44963936         -1.71660582
     1         -2.23579019         -0.50729097          3.37023765
     1          2.23594810          0.50809288          3.36999020
     1          4.43580667         -2.10957318         -0.90336175
     1         -4.43594537          2.10930842         -0.90345073
     1         -0.57361606          3.73426375          0.68145216
     1          0.57369527         -3.73431743          0.68262209

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.935565D+00      0.237797D+01      0.793205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.935565D+00      0.237797D+01      0.793205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.657275D+02      0.973980D+01      0.108370D+02
   aniso      0.167597D+02      0.248353D+01      0.276330D+01
   xx         0.682333D+02      0.101111D+02      0.112502D+02
   yx        -0.589845D+01     -0.874060D+00     -0.972522D+00
   yy         0.718317D+02      0.106444D+02      0.118435D+02
   zx         0.850065D-04      0.125967D-04      0.140157D-04
   zy        -0.126477D-02     -0.187420D-03     -0.208533D-03
   zz         0.571173D+02      0.846392D+01      0.941738D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.717105D+02      0.106264D+02      0.118235D+02
   aniso      0.172193D+02      0.255164D+01      0.283908D+01
   xx         0.741302D+02      0.109850D+02      0.122224D+02
   yx        -0.605157D+01     -0.896750D+00     -0.997768D+00
   yy         0.781047D+02      0.115739D+02      0.128777D+02
   zx         0.143859D-03      0.213178D-04      0.237192D-04
   zy        -0.131627D-02     -0.195051D-03     -0.217024D-03
   zz         0.628965D+02      0.932030D+01      0.103702D+02

 ----------------------------------------------------------------------
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 EVERYTHING'S GOT A MORAL, IF ONLY YOU CAN FIND IT.

                                    -- LEWIS CARROL, ALICE IN WONDERLAND
 Job cpu time:       0 days  2 hours 18 minutes 42.2 seconds.
 Elapsed time:       0 days  0 hours 17 minutes 35.8 seconds.
 File lengths (MBytes):  RWF=    235 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:27:41 2021.
